2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide

C18H22N2O2S — CID 9054777

IUPAC2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)Cc1ccsc1
InChIInChI=1S/C18H22N2O2S/c1-14(21)17(10-15-6-4-3-5-7-15)19-18(22)12-20(2)11-16-8-9-23-13-16/h3-9,13,17H,10-12H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyIFOLIWIQIRHKGW-QGZVFWFLSA-N
MW330.45 g/mol
LogP2.50
Rot. Bonds8

About 2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide

2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 9054777) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID9054777
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)Cc1ccsc1
InChIInChI=1S/C18H22N2O2S/c1-14(21)17(10-15-6-4-3-5-7-15)19-18(22)12-20(2)11-16-8-9-23-13-16/h3-9,13,17H,10-12H2,1-2H3,(H,19,22)/t17-/m1/s1
InChIKeyIFOLIWIQIRHKGW-QGZVFWFLSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-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-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9054230
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9039466
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054925
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9197153
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
2-[benzhydryl(methyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8730033
N-[1-(3,4-dimethylphenyl)ethyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 46671982
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 40881761
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222696
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222694
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 9054777) is 2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide is CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN(C)Cc1ccsc1.
What is the InChIKey of 2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is IFOLIWIQIRHKGW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14(21)17(10-15-6-4-3-5-7-15)19-18(22)12-20(2)11-16-8-9-23-13-16/h3-9,13,17H,10-12H2,1-2H3,(H,19,22)/t17-/m1/s1.
What are the key properties of 2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-3-ylmethyl)amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 9054777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).