(2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide

C23H24N2OS — CID 167600345

IUPAC(2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide
SMILESCC[C@@H](Cc1cccnc1)C(=O)Nc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C23H24N2OS/c1-2-20(15-19-9-6-14-24-16-19)23(26)25-21-10-12-22(13-11-21)27-17-18-7-4-3-5-8-18/h3-14,16,20H,2,15,17H2,1H3,(H,25,26)/t20-/m0/s1
InChIKeyYSRWKLSJVZWCJL-FQEVSTJZSA-N
MW376.53 g/mol
LogP5.58
Rot. Bonds8

About (2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide

(2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide (PubChem CID 167600345) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is (2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide
PubChem CID167600345
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name(2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide
SMILESCC[C@@H](Cc1cccnc1)C(=O)Nc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C23H24N2OS/c1-2-20(15-19-9-6-14-24-16-19)23(26)25-21-10-12-22(13-11-21)27-17-18-7-4-3-5-8-18/h3-14,16,20H,2,15,17H2,1H3,(H,25,26)/t20-/m0/s1
InChIKeyYSRWKLSJVZWCJL-FQEVSTJZSA-N
XLogP5.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-benzyl-N-(4-benzylsulfanylphenyl)butanamide
CID 167593912
(2S)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 79024068
3-chloro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 62727163
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
2-(4-methylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 46668908
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60572265
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
CID 863695
2-(4-ethoxyphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 46669161
2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 55465757
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of (2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide (CID 167600345) is (2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide is CC[C@@H](Cc1cccnc1)C(=O)Nc1ccc(SCc2ccccc2)cc1.
What is the InChIKey of (2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide?
The InChIKey is YSRWKLSJVZWCJL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-2-20(15-19-9-6-14-24-16-19)23(26)25-21-10-12-22(13-11-21)27-17-18-7-4-3-5-8-18/h3-14,16,20H,2,15,17H2,1H3,(H,25,26)/t20-/m0/s1.
What are the key properties of (2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide?
(2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide has a molecular weight of 376.53 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-benzylsulfanylphenyl)-2-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 167600345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).