N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene

C21H22N2O2S — CID 144888104

IUPACN-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene
SMILESCC(c1ccccc1)N(CC(N)=O)C(=O)c1cccs1.c1ccccc1
InChIInChI=1S/C15H16N2O2S.C6H6/c1-11(12-6-3-2-4-7-12)17(10-14(16)18)15(19)13-8-5-9-20-13;1-2-4-6-5-3-1/h2-9,11H,10H2,1H3,(H2,16,18);1-6H
InChIKeyGBFJHCDEEDQLJK-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.12
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene

N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene (PubChem CID 144888104) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene
PubChem CID144888104
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene
SMILESCC(c1ccccc1)N(CC(N)=O)C(=O)c1cccs1.c1ccccc1
InChIInChI=1S/C15H16N2O2S.C6H6/c1-11(12-6-3-2-4-7-12)17(10-14(16)18)15(19)13-8-5-9-20-13;1-2-4-6-5-3-1/h2-9,11H,10H2,1H3,(H2,16,18);1-6H
InChIKeyGBFJHCDEEDQLJK-UHFFFAOYSA-N
XLogP4.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride
CID 119337389
2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 119807887
N-(2-amino-2-oxoethyl)-2-(methylamino)-N-[(1R)-1-phenylethyl]acetamide
CID 119807877
N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 112794243
2-[(2-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]acetamide
CID 60679972
ethyl 2-[propan-2-yl(thiophene-2-carbonyl)amino]acetate
CID 54896878
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 118246917
N-(2-bromoethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 80666303
N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 119807871
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119659146
(2R)-4-amino-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]-4-oxobutanoic acid
CID 107821254

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene (CID 144888104) is N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene is CC(c1ccccc1)N(CC(N)=O)C(=O)c1cccs1.c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene?
The InChIKey is GBFJHCDEEDQLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S.C6H6/c1-11(12-6-3-2-4-7-12)17(10-14(16)18)15(19)13-8-5-9-20-13;1-2-4-6-5-3-1/h2-9,11H,10H2,1H3,(H2,16,18);1-6H.
What are the key properties of N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene?
N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene has a molecular weight of 366.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-(1-phenylethyl)thiophene-2-carboxamide;benzene is sourced from PubChem (CID 144888104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).