2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide

C24H24N2O3S — CID 8565521

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CSc2ccc(NC(C)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17(27)25-20-10-14-22(15-11-20)30-16-23(28)26-24(18-6-4-3-5-7-18)19-8-12-21(29-2)13-9-19/h3-15,24H,16H2,1-2H3,(H,25,27)(H,26,28)/t24-/m0/s1
InChIKeyPZNPALYNKQWLDV-DEOSSOPVSA-N
MW420.53 g/mol
LogP4.65
Rot. Bonds8

About 2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide

2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide (PubChem CID 8565521) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
PubChem CID8565521
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@@H](NC(=O)CSc2ccc(NC(C)=O)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17(27)25-20-10-14-22(15-11-20)30-16-23(28)26-24(18-6-4-3-5-7-18)19-8-12-21(29-2)13-9-19/h3-15,24H,16H2,1-2H3,(H,25,27)(H,26,28)/t24-/m0/s1
InChIKeyPZNPALYNKQWLDV-DEOSSOPVSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide 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

N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
CID 28958195
2-(4-acetamidophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 7379493
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 9046695
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoic acid
CID 43241779
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548776
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide (CID 8565521) is 2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide is COc1ccc([C@@H](NC(=O)CSc2ccc(NC(C)=O)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The InChIKey is PZNPALYNKQWLDV-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-17(27)25-20-10-14-22(15-11-20)30-16-23(28)26-24(18-6-4-3-5-7-18)19-8-12-21(29-2)13-9-19/h3-15,24H,16H2,1-2H3,(H,25,27)(H,26,28)/t24-/m0/s1.
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide?
2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide has a molecular weight of 420.53 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 8565521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).