N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene

C20H20N2O2S — CID 144887997

IUPACN-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
SMILESNC(=O)CN(Cc1cccs1)C(=O)c1ccccc1.c1ccccc1
InChIInChI=1S/C14H14N2O2S.C6H6/c15-13(17)10-16(9-12-7-4-8-19-12)14(18)11-5-2-1-3-6-11;1-2-4-6-5-3-1/h1-8H,9-10H2,(H2,15,17);1-6H
InChIKeyLUNIRNFUCRNPJL-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.56
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene

N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene (PubChem CID 144887997) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
PubChem CID144887997
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
SMILESNC(=O)CN(Cc1cccs1)C(=O)c1ccccc1.c1ccccc1
InChIInChI=1S/C14H14N2O2S.C6H6/c15-13(17)10-16(9-12-7-4-8-19-12)14(18)11-5-2-1-3-6-11;1-2-4-6-5-3-1/h1-8H,9-10H2,(H2,15,17);1-6H
InChIKeyLUNIRNFUCRNPJL-UHFFFAOYSA-N
XLogP3.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
4-chloro-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801917
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
N-ethyl-3-(N'-hydroxycarbamimidoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 76904150
4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 55438026
3-acetamido-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 17409595
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-bromo-N-prop-2-enylbenzamide
CID 3957992
N-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(thiophen-2-ylmethyl)thiadiazole-4-carboxamide
CID 3670704
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propylbenzamide
CID 3986046

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene (CID 144887997) is N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene is NC(=O)CN(Cc1cccs1)C(=O)c1ccccc1.c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene?
The InChIKey is LUNIRNFUCRNPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S.C6H6/c15-13(17)10-16(9-12-7-4-8-19-12)14(18)11-5-2-1-3-6-11;1-2-4-6-5-3-1/h1-8H,9-10H2,(H2,15,17);1-6H.
What are the key properties of N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene?
N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene has a molecular weight of 352.46 g/mol, XLogP of 3.56, 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-(thiophen-2-ylmethyl)benzamide;benzene is sourced from PubChem (CID 144887997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).