N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide

C24H26N2O2S2 — CID 142489795

IUPACN-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(C)cc1NSc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O2S2/c1-17-4-9-20(10-5-17)29-15-14-24(27)25-19-7-11-21(12-8-19)30-26-22-16-18(2)6-13-23(22)28-3/h4-13,16,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyUOQLXPMQJJGAIH-UHFFFAOYSA-N
MW438.62 g/mol
LogP6.55
Rot. Bonds9

About N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide

N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 142489795) has the molecular formula C24H26N2O2S2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID142489795
Molecular FormulaC24H26N2O2S2
Molecular Weight438.62 g/mol
Exact Mass438.14
IUPAC NameN-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(C)cc1NSc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O2S2/c1-17-4-9-20(10-5-17)29-15-14-24(27)25-19-7-11-21(12-8-19)30-26-22-16-18(2)6-13-23(22)28-3/h4-13,16,26H,14-15H2,1-3H3,(H,25,27)
InChIKeyUOQLXPMQJJGAIH-UHFFFAOYSA-N
XLogP6.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide 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-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23973490
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 137353894
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-(3-acetamido-4-methoxyphenyl)-3-phenylsulfanylpropanamide
CID 33307064
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-(4-iodophenyl)sulfanylpropanamide
CID 142489777
N-[4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26800978
N-(3-amino-4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 119419905
3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 47877564
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide (CID 142489795) is N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide is COc1ccc(C)cc1NSc1ccc(NC(=O)CCSc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is UOQLXPMQJJGAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S2/c1-17-4-9-20(10-5-17)29-15-14-24(27)25-19-7-11-21(12-8-19)30-26-22-16-18(2)6-13-23(22)28-3/h4-13,16,26H,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide?
N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 438.62 g/mol, XLogP of 6.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxy-5-methylanilino)sulfanylphenyl]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 142489795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).