N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide

C118H138Cl2F11N11O23S5 — CID 158219069

IUPACN-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C(=O)c3ccccc3)CC2)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(CCC(F)(F)F)CC2)cc1F.O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2CCN(CCC(F)(F)F)CC2)cc1F
InChIInChI=1S/C26H28ClFN2O5S.C24H26ClFN2O5S.C24H27FN2O5S.C22H29F4N3O4S.C22H28F4N2O4S/c27-19-3-1-2-18(12-19)26(32)30-10-8-16(9-11-30)15-35-24-14-23(28)22(13-21(24)17-4-5-17)25(31)29-36(33,34)20-6-7-20;1-34(31,32)27-23(29)20-12-19(16-5-6-16)22(13-21(20)26)33-14-15-7-9-28(10-8-15)24(30)17-3-2-4-18(25)11-17;1-33(30,31)26-23(28)20-13-19(17-7-8-17)22(14-21(20)25)32-15-16-9-11-27(12-10-16)24(29)18-5-3-2-4-6-18;23-19-13-20(33-14-15-4-9-28(10-5-15)11-6-22(24,25)26)17(16-2-3-16)12-18(19)21(30)27-34(31,32)29-7-1-8-29;23-19-12-20(32-13-14-5-8-28(9-6-14)10-7-22(24,25)26)17(15-1-2-15)11-18(19)21(29)27-33(30,31)16-3-4-16/h1-3,12-14,16-17,20H,4-11,15H2,(H,29,31);2-4,11-13,15-16H,5-10,14H2,1H3,(H,27,29);2-6,13-14,16-17H,7-12,15H2,1H3,(H,26,28);12-13,15-16H,1-11,14H2,(H,27,30);11-12,14-16H,1-10,13H2,(H,27,29)
InChIKeyGDADMUBJUDSKQS-UHFFFAOYSA-N
MW2518.67 g/mol
LogP19.21
Rot. Bonds40

About N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide

N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide (PubChem CID 158219069) has the molecular formula C118H138Cl2F11N11O23S5 and a molecular weight of 2518.67 g/mol. Its IUPAC name is N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide
PubChem CID158219069
Molecular FormulaC118H138Cl2F11N11O23S5
Molecular Weight2518.67 g/mol
Exact Mass2515.78
IUPAC NameN-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C(=O)c3ccccc3)CC2)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(CCC(F)(F)F)CC2)cc1F.O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2CCN(CCC(F)(F)F)CC2)cc1F
InChIInChI=1S/C26H28ClFN2O5S.C24H26ClFN2O5S.C24H27FN2O5S.C22H29F4N3O4S.C22H28F4N2O4S/c27-19-3-1-2-18(12-19)26(32)30-10-8-16(9-11-30)15-35-24-14-23(28)22(13-21(24)17-4-5-17)25(31)29-36(33,34)20-6-7-20;1-34(31,32)27-23(29)20-12-19(16-5-6-16)22(13-21(20)26)33-14-15-7-9-28(10-8-15)24(30)17-3-2-4-18(25)11-17;1-33(30,31)26-23(28)20-13-19(17-7-8-17)22(14-21(20)25)32-15-16-9-11-27(12-10-16)24(29)18-5-3-2-4-6-18;23-19-13-20(33-14-15-4-9-28(10-5-15)11-6-22(24,25)26)17(16-2-3-16)12-18(19)21(30)27-34(31,32)29-7-1-8-29;23-19-12-20(32-13-14-5-8-28(9-6-14)10-7-22(24,25)26)17(15-1-2-15)11-18(19)21(29)27-33(30,31)16-3-4-16/h1-3,12-14,16-17,20H,4-11,15H2,(H,29,31);2-4,11-13,15-16H,5-10,14H2,1H3,(H,27,29);2-6,13-14,16-17H,7-12,15H2,1H3,(H,26,28);12-13,15-16H,1-11,14H2,(H,27,30);11-12,14-16H,1-10,13H2,(H,27,29)
InChIKeyGDADMUBJUDSKQS-UHFFFAOYSA-N
XLogP19.21
TPSA433.00 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds40
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002518.67
LogP ≤ 519.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide?
The IUPAC name of N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide (CID 158219069) is N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide.
What is the SMILES notation for N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide?
The canonical SMILES for N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide is CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1F.CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C(=O)c3ccccc3)CC2)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1F.O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CCN(CCC(F)(F)F)CC2)cc1F.O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2CCN(CCC(F)(F)F)CC2)cc1F.
What is the InChIKey of N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide?
The InChIKey is GDADMUBJUDSKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN2O5S.C24H26ClFN2O5S.C24H27FN2O5S.C22H29F4N3O4S.C22H28F4N2O4S/c27-19-3-1-2-18(12-19)26(32)30-10-8-16(9-11-30)15-35-24-14-23(28)22(13-21(24)17-4-5-17)25(31)29-36(33,34)20-6-7-20;1-34(31,32)27-23(29)20-12-19(16-5-6-16)22(13-21(20)26)33-14-15-7-9-28(10-8-15)24(30)17-3-2-4-18(25)11-17;1-33(30,31)26-23(28)20-13-19(17-7-8-17)22(14-21(20)25)32-15-16-9-11-27(12-10-16)24(29)18-5-3-2-4-6-18;23-19-13-20(33-14-15-4-9-28(10-5-15)11-6-22(24,25)26)17(16-2-3-16)12-18(19)21(30)27-34(31,32)29-7-1-8-29;23-19-12-20(32-13-14-5-8-28(9-6-14)10-7-22(24,25)26)17(15-1-2-15)11-18(19)21(29)27-33(30,31)16-3-4-16/h1-3,12-14,16-17,20H,4-11,15H2,(H,29,31);2-4,11-13,15-16H,5-10,14H2,1H3,(H,27,29);2-6,13-14,16-17H,7-12,15H2,1H3,(H,26,28);12-13,15-16H,1-11,14H2,(H,27,30);11-12,14-16H,1-10,13H2,(H,27,29).
What are the key properties of N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide?
N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide has a molecular weight of 2518.67 g/mol, XLogP of 19.21, 40 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide;4-[(1-benzoylpiperidin-4-yl)methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-N-cyclopropylsulfonyl-2-fluorobenzamide;4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide;5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methoxy]benzamide is sourced from PubChem (CID 158219069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).