N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide

C10H12N2O2S — CID 107022665

IUPACN-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide
SMILESCN(CC(N)=O)C(=O)c1ccccc1S
InChIInChI=1S/C10H12N2O2S/c1-12(6-9(11)13)10(14)7-4-2-3-5-8(7)15/h2-5,15H,6H2,1H3,(H2,11,13)
InChIKeyLVQRMLZCPHHRTK-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.53
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide

N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide (PubChem CID 107022665) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide
PubChem CID107022665
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC NameN-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide
SMILESCN(CC(N)=O)C(=O)c1ccccc1S
InChIInChI=1S/C10H12N2O2S/c1-12(6-9(11)13)10(14)7-4-2-3-5-8(7)15/h2-5,15H,6H2,1H3,(H2,11,13)
InChIKeyLVQRMLZCPHHRTK-UHFFFAOYSA-N
XLogP0.53
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide
CID 107028256
N-(2-amino-2-oxoethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829163
N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
CID 80718993
3-amino-N-(2-amino-2-oxoethyl)-2-chloro-N-methylbenzamide
CID 112574760
N-(2-amino-2-oxoethyl)-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 54921983
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
CID 43374214
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-sulfanylbenzamide
CID 107031679
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide
CID 107037305
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
N-(2-amino-2-oxoethyl)-2,3,4-trifluoro-N-methylbenzamide
CID 82086017
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
4-[(2-amino-2-oxoethyl)-methylcarbamoyl]benzoic acid
CID 43452627

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide (CID 107022665) is N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide is CN(CC(N)=O)C(=O)c1ccccc1S.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide?
The InChIKey is LVQRMLZCPHHRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-12(6-9(11)13)10(14)7-4-2-3-5-8(7)15/h2-5,15H,6H2,1H3,(H2,11,13).
What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide?
N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide has a molecular weight of 224.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-methyl-2-sulfanylbenzamide is sourced from PubChem (CID 107022665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).