2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide

C16H16N2O2S — CID 36676700

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2SCC(N)=O)c1
InChIInChI=1S/C16H16N2O2S/c1-11-5-4-6-12(9-11)18-16(20)13-7-2-3-8-14(13)21-10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyLXDOSDUNARCALS-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.82
Rot. Bonds5

About 2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide (PubChem CID 36676700) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
PubChem CID36676700
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2SCC(N)=O)c1
InChIInChI=1S/C16H16N2O2S/c1-11-5-4-6-12(9-11)18-16(20)13-7-2-3-8-14(13)21-10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyLXDOSDUNARCALS-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 37345198
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86932022
2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide
CID 7997045
(2R)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-methylphenyl)propanamide
CID 9044547
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide
CID 134030541
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(3-methylphenyl)benzamide
CID 51246069
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 17461144
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 112762736
N-(3-ethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 112790919
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51248279

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide (CID 36676700) is 2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2SCC(N)=O)c1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide?
The InChIKey is LXDOSDUNARCALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-5-4-6-12(9-11)18-16(20)13-7-2-3-8-14(13)21-10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide has a molecular weight of 300.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 36676700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).