4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C54H58F3N7O7S2 — CID 162004668

IUPAC4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCSc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1.CSc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3.2C18H20N2O2S/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;2*1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);2*2-9,17,19H,10-12H2,1H3,(H,20,21)/t15-;2*17-/m010/s1
InChIKeyYSRCXRISACWKKK-OHCPBYIFSA-N
MW1038.23 g/mol
LogP9.58
Rot. Bonds13

About 4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 162004668) has the molecular formula C54H58F3N7O7S2 and a molecular weight of 1038.23 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID162004668
Molecular FormulaC54H58F3N7O7S2
Molecular Weight1038.23 g/mol
Exact Mass1037.38
IUPAC Name4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCSc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1.CSc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3.2C18H20N2O2S/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;2*1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);2*2-9,17,19H,10-12H2,1H3,(H,20,21)/t15-;2*17-/m010/s1
InChIKeyYSRCXRISACWKKK-OHCPBYIFSA-N
XLogP9.58
TPSA173.20 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001038.23
LogP ≤ 59.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

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Related Compounds

N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56836056
N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66705789
N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67240475
N-[4-[(2S,3R,6R)-3,6-dimethylmorpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 118700446
2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 159890293
2-ethoxy-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 160037128
2-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 160037129
N-[3,3-bis(4-fluorophenyl)propyl]-4-isocyanobenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-methylsulfonylbenzamide;N-[3,3-bis(4-fluorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[3,3-bis(4-fluorophenyl)propyl]-4-(trifluoromethoxy)benzamide
CID 161189207
3-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 161457182
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;N-[4-[(3R)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 162073696
N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 173921286
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 157901164

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 162004668) is 4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CSc1ccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2)cc1.CSc1ccc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)cc1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is YSRCXRISACWKKK-OHCPBYIFSA-N. The full InChI is InChI=1S/C18H18F3N3O3.2C18H20N2O2S/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;2*1-23-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-22-17/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);2*2-9,17,19H,10-12H2,1H3,(H,20,21)/t15-;2*17-/m010/s1.
What are the key properties of 4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 1038.23 g/mol, XLogP of 9.58, 13 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-methylsulfanyl-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 162004668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).