N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide

C18H21NOS — CID 28575186

IUPACN-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
SMILESCC[C@@H](NC(=O)c1ccccc1SC)c1ccc(C)cc1
InChIInChI=1S/C18H21NOS/c1-4-16(14-11-9-13(2)10-12-14)19-18(20)15-7-5-6-8-17(15)21-3/h5-12,16H,4H2,1-3H3,(H,19,20)/t16-/m1/s1
InChIKeyPSUOYVVBOVBLQH-MRXNPFEDSA-N
MW299.44 g/mol
LogP4.60
Rot. Bonds5

About N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide

N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide (PubChem CID 28575186) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
PubChem CID28575186
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide
SMILESCC[C@@H](NC(=O)c1ccccc1SC)c1ccc(C)cc1
InChIInChI=1S/C18H21NOS/c1-4-16(14-11-9-13(2)10-12-14)19-18(20)15-7-5-6-8-17(15)21-3/h5-12,16H,4H2,1-3H3,(H,19,20)/t16-/m1/s1
InChIKeyPSUOYVVBOVBLQH-MRXNPFEDSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide 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-[(1R)-1-(4-methylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 99132104
N-[1-(4-methylphenyl)propyl]-2-propan-2-yloxybenzamide
CID 132650459
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
(2S,3S)-3-methyl-2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid
CID 61137536
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 92674839
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 134030712
N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide
CID 9297376
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980
2,6-dimethoxy-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 94011780

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide (CID 28575186) is N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide is CC[C@@H](NC(=O)c1ccccc1SC)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide?
The InChIKey is PSUOYVVBOVBLQH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21NOS/c1-4-16(14-11-9-13(2)10-12-14)19-18(20)15-7-5-6-8-17(15)21-3/h5-12,16H,4H2,1-3H3,(H,19,20)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide?
N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide has a molecular weight of 299.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)propyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 28575186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).