3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane

C11H16N2O2S — CID 142545208

IUPAC3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane
SMILESCC.NC(=O)CSc1cccc(C(N)=O)c1
InChIInChI=1S/C9H10N2O2S.C2H6/c10-8(12)5-14-7-3-1-2-6(4-7)9(11)13;1-2/h1-4H,5H2,(H2,10,12)(H2,11,13);1-2H3
InChIKeyKQGPUHQVGFNKKX-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.39
Rot. Bonds4

About 3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane

3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane (PubChem CID 142545208) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane
PubChem CID142545208
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane
SMILESCC.NC(=O)CSc1cccc(C(N)=O)c1
InChIInChI=1S/C9H10N2O2S.C2H6/c10-8(12)5-14-7-3-1-2-6(4-7)9(11)13;1-2/h1-4H,5H2,(H2,10,12)(H2,11,13);1-2H3
InChIKeyKQGPUHQVGFNKKX-UHFFFAOYSA-N
XLogP1.39
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminophenyl)sulfanylacetamide
CID 19300065
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665949
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide
CID 19318409
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
CID 19318390
(3-carbamoylphenyl) thiocyanate
CID 172564118
3-[(3-aminophenyl)sulfanylmethyl]benzamide
CID 79133655
2-(3-acetylphenyl)sulfanyl-N-methylacetamide
CID 64660516
1-[3-(2-bromoprop-2-enylsulfanyl)phenyl]ethanone
CID 64661289
3-(methylsulfamoylsulfanyl)benzamide
CID 119091765
3-[2-[methoxy(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 18007747
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-nitrobenzamide
CID 19318403

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane (CID 142545208) is 3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane is CC.NC(=O)CSc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane?
The InChIKey is KQGPUHQVGFNKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S.C2H6/c10-8(12)5-14-7-3-1-2-6(4-7)9(11)13;1-2/h1-4H,5H2,(H2,10,12)(H2,11,13);1-2H3.
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane?
3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane has a molecular weight of 240.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane is sourced from PubChem (CID 142545208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).