N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide

C16H16N2O2S — CID 19318409

IUPACN-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(SCC(N)=O)c2)cc1
InChIInChI=1S/C16H16N2O2S/c1-11-5-7-12(8-6-11)16(20)18-13-3-2-4-14(9-13)21-10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyKHQWAWCAUBUZQP-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.82
Rot. Bonds5

About N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide

N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide (PubChem CID 19318409) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide
PubChem CID19318409
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(SCC(N)=O)c2)cc1
InChIInChI=1S/C16H16N2O2S/c1-11-5-7-12(8-6-11)16(20)18-13-3-2-4-14(9-13)21-10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyKHQWAWCAUBUZQP-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

Analyze N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-nitrobenzamide
CID 19318403
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907057
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907054
N-[3-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 18906826
N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907120
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 19298990
4-methyl-N-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]benzamide
CID 19298977
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]butanamide
CID 19318390
N-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907055
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22777218
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide?
The IUPAC name of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide (CID 19318409) is N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(SCC(N)=O)c2)cc1.
What is the InChIKey of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide?
The InChIKey is KHQWAWCAUBUZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-11-5-7-12(8-6-11)16(20)18-13-3-2-4-14(9-13)21-10-15(17)19/h2-9H,10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide?
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide 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 N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methylbenzamide is sourced from PubChem (CID 19318409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).