2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide

C27H30N2O2S — CID 4030996

IUPAC2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(C)cc1)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H30N2O2S/c1-21-13-15-25(16-14-21)32-20-26(28-22(2)30)27(31)29(19-24-11-7-4-8-12-24)18-17-23-9-5-3-6-10-23/h3-16,26H,17-20H2,1-2H3,(H,28,30)
InChIKeyMVZGKBTYXWEREZ-UHFFFAOYSA-N
MW446.62 g/mol
LogP4.86
Rot. Bonds10

About 2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide

2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide (PubChem CID 4030996) has the molecular formula C27H30N2O2S and a molecular weight of 446.62 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide
PubChem CID4030996
Molecular FormulaC27H30N2O2S
Molecular Weight446.62 g/mol
Exact Mass446.20
IUPAC Name2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide
SMILESCC(=O)NC(CSc1ccc(C)cc1)C(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H30N2O2S/c1-21-13-15-25(16-14-21)32-20-26(28-22(2)30)27(31)29(19-24-11-7-4-8-12-24)18-17-23-9-5-3-6-10-23/h3-16,26H,17-20H2,1-2H3,(H,28,30)
InChIKeyMVZGKBTYXWEREZ-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide 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

2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 4528480
2-acetamido-N-benzyl-3-(9-ethylcarbazol-3-yl)sulfanyl-N-(2-hydroxyethyl)propanamide
CID 3441414
2-acetamido-N-(2-phenylethyl)-3-phenylsulfanylpropanamide
CID 4286385
2-acetamido-N-butyl-N-methyl-3-phenylsulfanylpropanamide
CID 3435227
N-[1-[benzyl(2-phenylethyl)amino]-1-oxo-3-phenylpropan-2-yl]-3-chloro-2,2-dimethylpropanamide
CID 42704128
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
N,N-dibenzyl-2-(4-methylphenyl)sulfanylpropanamide
CID 3933523
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
2-acetamido-3-(4-chlorophenyl)sulfanyl-N,N-bis(prop-2-enyl)propanamide
CID 3275957
2-acetamido-N-benzyl-3-(4-fluorophenyl)sulfanylpropanamide
CID 3441415

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide (CID 4030996) is 2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide is CC(=O)NC(CSc1ccc(C)cc1)C(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide?
The InChIKey is MVZGKBTYXWEREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2S/c1-21-13-15-25(16-14-21)32-20-26(28-22(2)30)27(31)29(19-24-11-7-4-8-12-24)18-17-23-9-5-3-6-10-23/h3-16,26H,17-20H2,1-2H3,(H,28,30).
What are the key properties of 2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide?
2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide has a molecular weight of 446.62 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-3-(4-methylphenyl)sulfanyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 4030996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).