2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide

C25H25N3O4S — CID 55875547

IUPAC2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)C(C)Sc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C25H25N3O4S/c1-16(33-21-13-11-18(12-14-21)26-17(2)29)24(30)28-23-10-5-4-9-22(23)25(31)27-19-7-6-8-20(15-19)32-3/h4-16H,1-3H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyGDJYTTMAOBLHJZ-UHFFFAOYSA-N
MW463.56 g/mol
LogP5.03
Rot. Bonds8

About 2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide

2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide (PubChem CID 55875547) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide
PubChem CID55875547
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)C(C)Sc2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C25H25N3O4S/c1-16(33-21-13-11-18(12-14-21)26-17(2)29)24(30)28-23-10-5-4-9-22(23)25(31)27-19-7-6-8-20(15-19)32-3/h4-16H,1-3H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyGDJYTTMAOBLHJZ-UHFFFAOYSA-N
XLogP5.03
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.56
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzamide
CID 22782366
(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903294
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2942646
N-[3-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907907
2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 18900966
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-[4-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 23099694
8-[[4-[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22786498
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 8948623
N-(3-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316292

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide (CID 55875547) is 2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccccc2NC(=O)C(C)Sc2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of 2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide?
The InChIKey is GDJYTTMAOBLHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-16(33-21-13-11-18(12-14-21)26-17(2)29)24(30)28-23-10-5-4-9-22(23)25(31)27-19-7-6-8-20(15-19)32-3/h4-16H,1-3H3,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of 2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide?
2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide has a molecular weight of 463.56 g/mol, XLogP of 5.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 55875547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).