N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide

C25H25N3O4S — CID 18903294

IUPACN-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SC(C)C(=O)Nc3ccc(NC(C)=O)cc3)c2)c1
InChIInChI=1S/C25H25N3O4S/c1-16(24(30)27-20-12-10-19(11-13-20)26-17(2)29)33-23-9-5-7-21(15-23)28-25(31)18-6-4-8-22(14-18)32-3/h4-16H,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyFEDQZCLQRPQSRD-UHFFFAOYSA-N
MW463.56 g/mol
LogP5.03
Rot. Bonds8

About N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide

N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide (PubChem CID 18903294) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
PubChem CID18903294
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(SC(C)C(=O)Nc3ccc(NC(C)=O)cc3)c2)c1
InChIInChI=1S/C25H25N3O4S/c1-16(24(30)27-20-12-10-19(11-13-20)26-17(2)29)33-23-9-5-7-21(15-23)28-25(31)18-6-4-8-22(14-18)32-3/h4-16H,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyFEDQZCLQRPQSRD-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

Analyze N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide 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

4-[2-[3-[(3-methoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 18903290
N-[3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 18906732
3-methoxy-N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]benzamide
CID 18903236
N-[3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18903277
3-methyl-N-[3-[1-(4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18906716
N-(3-methoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316292
3-methoxy-N-[3-[1-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18899575
3-methoxy-N-[4-[1-oxo-1-(2,3,5,6-tetrafluoroanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 23097634
2-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55875547
2-(3-acetamidophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 18900966
N-[3-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-methoxybenzamide
CID 18903454
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908164

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide?
The IUPAC name of N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide (CID 18903294) is N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide?
The canonical SMILES for N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(SC(C)C(=O)Nc3ccc(NC(C)=O)cc3)c2)c1.
What is the InChIKey of N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide?
The InChIKey is FEDQZCLQRPQSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-16(24(30)27-20-12-10-19(11-13-20)26-17(2)29)33-23-9-5-7-21(15-23)28-25(31)18-6-4-8-22(14-18)32-3/h4-16H,1-3H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide?
N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide 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 N-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide is sourced from PubChem (CID 18903294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).