(2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide

C25H33ClFN3O5S — CID 10289591

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(Cc1ccc(OCCN2CCOCC2)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H33ClFN3O5S/c1-18(2)15-23(25(28)31)30(36(32,33)21-6-4-20(26)5-7-21)17-19-3-8-24(22(27)16-19)35-14-11-29-9-12-34-13-10-29/h3-8,16,18,23H,9-15,17H2,1-2H3,(H2,28,31)/t23-/m1/s1
InChIKeyNGVBFIAXJQZECH-HSZRJFAPSA-N
MW542.07 g/mol
LogP3.28
Rot. Bonds12

About (2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide (PubChem CID 10289591) has the molecular formula C25H33ClFN3O5S and a molecular weight of 542.07 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide
PubChem CID10289591
Molecular FormulaC25H33ClFN3O5S
Molecular Weight542.07 g/mol
Exact Mass541.18
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(Cc1ccc(OCCN2CCOCC2)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H33ClFN3O5S/c1-18(2)15-23(25(28)31)30(36(32,33)21-6-4-20(26)5-7-21)17-19-3-8-24(22(27)16-19)35-14-11-29-9-12-34-13-10-29/h3-8,16,18,23H,9-15,17H2,1-2H3,(H2,28,31)/t23-/m1/s1
InChIKeyNGVBFIAXJQZECH-HSZRJFAPSA-N
XLogP3.28
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.07
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide with MolForge

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Related Compounds

(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-methoxybenzyl)amino]-4-methylpentanoic acid amide
CID 9867067
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-methylpentanamide
CID 71453378
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-4-methylpentanamide
CID 71456876
(2R)-2-[(3-fluoro-4-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]-4-methylpentanamide
CID 71456877
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pentanamide
CID 71456886
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]pent-4-enamide
CID 71458734
(2R)-2-[(3-fluoro-4-methoxyphenyl)methyl-(4-fluorophenyl)sulfonylamino]-4-methylpentanamide
CID 71460555
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-methoxyphenyl)methyl]amino]-4-methylpentanamide
CID 71462262
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 11189908
4-chloro-N-[(4-methoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 11430149
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 11510496
4-chloro-N-(2,3-difluoro-4-methoxy-benzyl)-N-((R)-5,5-difluoro-2-oxo-azepan-3-yl)-benzenesulfonamide
CID 16035476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide (CID 10289591) is (2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide is CC(C)C[C@H](C(N)=O)N(Cc1ccc(OCCN2CCOCC2)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide?
The InChIKey is NGVBFIAXJQZECH-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33ClFN3O5S/c1-18(2)15-23(25(28)31)30(36(32,33)21-6-4-20(26)5-7-21)17-19-3-8-24(22(27)16-19)35-14-11-29-9-12-34-13-10-29/h3-8,16,18,23H,9-15,17H2,1-2H3,(H2,28,31)/t23-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide has a molecular weight of 542.07 g/mol, XLogP of 3.28, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]amino]-4-methylpentanamide is sourced from PubChem (CID 10289591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).