2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C21H28N2OS — CID 9199067

IUPAC2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCSc1ccc(CN(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H28N2OS/c1-17(9-10-18-7-5-4-6-8-18)22-21(24)16-23(2)15-19-11-13-20(25-3)14-12-19/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyHVJHDQUDYUSNNP-QGZVFWFLSA-N
MW356.54 g/mol
LogP3.98
Rot. Bonds9

About 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 9199067) has the molecular formula C21H28N2OS and a molecular weight of 356.54 g/mol. Its IUPAC name is 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID9199067
Molecular FormulaC21H28N2OS
Molecular Weight356.54 g/mol
Exact Mass356.19
IUPAC Name2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCSc1ccc(CN(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H28N2OS/c1-17(9-10-18-7-5-4-6-8-18)22-21(24)16-23(2)15-19-11-13-20(25-3)14-12-19/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyHVJHDQUDYUSNNP-QGZVFWFLSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide 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-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 9040145
N-methyl-4-[[methyl-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]amino]methyl]benzamide
CID 9003185
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 26515915
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]amino]acetamide
CID 18078875
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
CID 43386086
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 8594865
2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 43906894
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 9199067) is 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide is CSc1ccc(CN(C)CC(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is HVJHDQUDYUSNNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-17(9-10-18-7-5-4-6-8-18)22-21(24)16-23(2)15-19-11-13-20(25-3)14-12-19/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 356.54 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 9199067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).