N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide

C14H20N2O2S — CID 54981288

IUPACN-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC2CCS(=O)CC2)c1
InChIInChI=1S/C14H20N2O2S/c1-10-3-4-13(15-11(2)17)9-14(10)16-12-5-7-19(18)8-6-12/h3-4,9,12,16H,5-8H2,1-2H3,(H,15,17)
InChIKeySXWSAKMIUAESKT-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.28
Rot. Bonds3

About N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide

N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide (PubChem CID 54981288) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide
PubChem CID54981288
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC2CCS(=O)CC2)c1
InChIInChI=1S/C14H20N2O2S/c1-10-3-4-13(15-11(2)17)9-14(10)16-12-5-7-19(18)8-6-12/h3-4,9,12,16H,5-8H2,1-2H3,(H,15,17)
InChIKeySXWSAKMIUAESKT-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide 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

N-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide
CID 54981771
N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide
CID 80561000
N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide
CID 63162861
N-(2-methyl-5-methylsulfonylphenyl)-1-oxothian-4-amine
CID 54981615
4-methyl-3-[(1-oxothian-4-yl)amino]benzenesulfonamide
CID 54981628
N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
CID 43739606
4-methyl-N-(1-oxothian-4-yl)pyridin-3-amine
CID 63329562
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-[2-methyl-5-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43735881
N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
CID 61016600
N-(3-methoxy-2,4-dimethylphenyl)-1-oxothian-4-amine
CID 54981964
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide (CID 54981288) is N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(C)c(NC2CCS(=O)CC2)c1.
What is the InChIKey of N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide?
The InChIKey is SXWSAKMIUAESKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-3-4-13(15-11(2)17)9-14(10)16-12-5-7-19(18)8-6-12/h3-4,9,12,16H,5-8H2,1-2H3,(H,15,17).
What are the key properties of N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide?
N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide has a molecular weight of 280.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 54981288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).