N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide

C23H23NO2S — CID 55546559

IUPACN-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
SMILESCOc1cccc(SC(C)C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H23NO2S/c1-17(27-21-15-9-14-20(16-21)26-2)23(25)24-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-17,22H,1-2H3,(H,24,25)
InChIKeyYMXUCZJVGGOVIS-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.08
Rot. Bonds7

About N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide

N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide (PubChem CID 55546559) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
PubChem CID55546559
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
SMILESCOc1cccc(SC(C)C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H23NO2S/c1-17(27-21-15-9-14-20(16-21)26-2)23(25)24-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-17,22H,1-2H3,(H,24,25)
InChIKeyYMXUCZJVGGOVIS-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506189
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
(2R)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
CID 94809014
(2R)-2-(3-methoxyphenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28569116
N-(3-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316292
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
2-(3-methoxyphenyl)sulfanylpropanedioic acid
CID 19596217
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide
CID 75869890
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide
CID 95172605
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-phenylsulfanylpropanamide
CID 94027318
N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132671548

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide (CID 55546559) is N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide is COc1cccc(SC(C)C(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide?
The InChIKey is YMXUCZJVGGOVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-17(27-21-15-9-14-20(16-21)26-2)23(25)24-22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-17,22H,1-2H3,(H,24,25).
What are the key properties of N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide?
N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide has a molecular weight of 377.51 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 55546559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).