N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide

C17H16N2O3S — CID 37345198

IUPACN-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2SCC(N)=O)c1
InChIInChI=1S/C17H16N2O3S/c1-11(20)12-5-4-6-13(9-12)19-17(22)14-7-2-3-8-15(14)23-10-16(18)21/h2-9H,10H2,1H3,(H2,18,21)(H,19,22)
InChIKeyVOPCVELTNKVOFU-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.72
Rot. Bonds6

About N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide

N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide (PubChem CID 37345198) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
PubChem CID37345198
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccccc2SCC(N)=O)c1
InChIInChI=1S/C17H16N2O3S/c1-11(20)12-5-4-6-13(9-12)19-17(22)14-7-2-3-8-15(14)23-10-16(18)21/h2-9H,10H2,1H3,(H2,18,21)(H,19,22)
InChIKeyVOPCVELTNKVOFU-UHFFFAOYSA-N
XLogP2.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
CID 36676700
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86932022
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 17497756
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]benzamide
CID 134030541
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 17461144
[2-(3-acetylanilino)-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 55308717
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754
2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51248279
N-(3-acetylphenyl)-2-methylsulfonylbenzamide
CID 2522636
(2S)-N-(3-acetylphenyl)-2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7883426

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide (CID 37345198) is N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide is CC(=O)c1cccc(NC(=O)c2ccccc2SCC(N)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
The InChIKey is VOPCVELTNKVOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11(20)12-5-4-6-13(9-12)19-17(22)14-7-2-3-8-15(14)23-10-16(18)21/h2-9H,10H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide?
N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide has a molecular weight of 328.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide is sourced from PubChem (CID 37345198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).