N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide

C25H24ClN3O3S — CID 18902430

IUPACN-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Sc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C25H24ClN3O3S/c1-16(25(32)29-21-12-10-20(11-13-21)27-17(2)30)33-23-5-3-4-22(15-23)28-24(31)14-18-6-8-19(26)9-7-18/h3-13,15-16H,14H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyQCASAXNGCRWJAX-UHFFFAOYSA-N
MW482.01 g/mol
LogP5.60
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide

N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide (PubChem CID 18902430) has the molecular formula C25H24ClN3O3S and a molecular weight of 482.01 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide
PubChem CID18902430
Molecular FormulaC25H24ClN3O3S
Molecular Weight482.01 g/mol
Exact Mass481.12
IUPAC NameN-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Sc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C25H24ClN3O3S/c1-16(25(32)29-21-12-10-20(11-13-21)27-17(2)30)33-23-5-3-4-22(15-23)28-24(31)14-18-6-8-19(26)9-7-18/h3-13,15-16H,14H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyQCASAXNGCRWJAX-UHFFFAOYSA-N
XLogP5.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.01
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 23096466
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide
CID 18912647
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 18902390
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 18900946
4-[3-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 18897042
N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
CID 18902594
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(4-iodophenyl)propanamide
CID 21169616
N-(4-chlorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905978
N-(3-methylphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905851
N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906050
5-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanoylamino]-2-hydroxybenzoic acid
CID 23098413
N-(4-nitrophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905849

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide (CID 18902430) is N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)C(C)Sc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide?
The InChIKey is QCASAXNGCRWJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3S/c1-16(25(32)29-21-12-10-20(11-13-21)27-17(2)30)33-23-5-3-4-22(15-23)28-24(31)14-18-6-8-19(26)9-7-18/h3-13,15-16H,14H2,1-2H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide?
N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide has a molecular weight of 482.01 g/mol, XLogP of 5.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanylpropanamide is sourced from PubChem (CID 18902430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).