N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C21H20N2O2S — CID 24662353

IUPACN-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C(NC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-23(15-16-9-4-2-5-10-16)21(25)19(17-11-6-3-7-12-17)22-20(24)18-13-8-14-26-18/h2-14,19H,15H2,1H3,(H,22,24)
InChIKeyMKWJKFSTVVGTIQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.88
Rot. Bonds6

About N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 24662353) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID24662353
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C(NC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-23(15-16-9-4-2-5-10-16)21(25)19(17-11-6-3-7-12-17)22-20(24)18-13-8-14-26-18/h2-14,19H,15H2,1H3,(H,22,24)
InChIKeyMKWJKFSTVVGTIQ-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7807993
N-[(2S)-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24546913
N-[(2S)-1-[(3-methoxyphenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 41104628
N-[1-[(4-fluorophenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195706
N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 134004262
N-[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 31549169
N-[1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24682463
N-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 4780412
tert-butyl N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate;hydrochloride
CID 53439137
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 78821590
N-[1-[(2,4-difluorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55536599
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 24662353) is N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is CN(Cc1ccccc1)C(=O)C(NC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is MKWJKFSTVVGTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-23(15-16-9-4-2-5-10-16)21(25)19(17-11-6-3-7-12-17)22-20(24)18-13-8-14-26-18/h2-14,19H,15H2,1H3,(H,22,24).
What are the key properties of N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24662353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).