2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide

C17H20N2O2S2 — CID 122132930

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2ccccc2SCC(N)=O)c(C)s1
InChIInChI=1S/C17H20N2O2S2/c1-10-8-14(12(3)23-10)11(2)19-17(21)13-6-4-5-7-15(13)22-9-16(18)20/h4-8,11H,9H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeyPPZGXCLJABOTQT-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.43
Rot. Bonds6

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide (PubChem CID 122132930) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide
PubChem CID122132930
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide
SMILESCc1cc(C(C)NC(=O)c2ccccc2SCC(N)=O)c(C)s1
InChIInChI=1S/C17H20N2O2S2/c1-10-8-14(12(3)23-10)11(2)19-17(21)13-6-4-5-7-15(13)22-9-16(18)20/h4-8,11H,9H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeyPPZGXCLJABOTQT-UHFFFAOYSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 75414577
N-[(2S)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51937950
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 47168017
4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
CID 119287416
2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
CID 36676700
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895795
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-ethylsulfanylbenzamide
CID 99132067
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 62239163
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(methylamino)pyridine-3-carboxamide
CID 81242851
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642
N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119639773

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide (CID 122132930) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide is Cc1cc(C(C)NC(=O)c2ccccc2SCC(N)=O)c(C)s1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide?
The InChIKey is PPZGXCLJABOTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c1-10-8-14(12(3)23-10)11(2)19-17(21)13-6-4-5-7-15(13)22-9-16(18)20/h4-8,11H,9H2,1-3H3,(H2,18,20)(H,19,21).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide has a molecular weight of 348.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide is sourced from PubChem (CID 122132930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).