N-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide

C14H20N2O2S — CID 54981771

IUPACN-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CCS(=O)CC2)ccc1C
InChIInChI=1S/C14H20N2O2S/c1-10-3-4-13(9-14(10)15-11(2)17)16-12-5-7-19(18)8-6-12/h3-4,9,12,16H,5-8H2,1-2H3,(H,15,17)
InChIKeyUGODKLHRLMUZLT-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.28
Rot. Bonds3

About N-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide

N-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide (PubChem CID 54981771) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide
PubChem CID54981771
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NC2CCS(=O)CC2)ccc1C
InChIInChI=1S/C14H20N2O2S/c1-10-3-4-13(9-14(10)15-11(2)17)16-12-5-7-19(18)8-6-12/h3-4,9,12,16H,5-8H2,1-2H3,(H,15,17)
InChIKeyUGODKLHRLMUZLT-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

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Related Compounds

N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide
CID 54981288
N-[2-methyl-5-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43735881
N-(4-methoxy-3-methylphenyl)-1-oxothian-4-amine
CID 54981489
N-[2-methyl-4-[(4-methylcyclohexyl)amino]phenyl]acetamide
CID 43672817
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393
N-[5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methylphenyl]acetamide
CID 82854082
N-(2-methyl-5-methylsulfonylphenyl)-1-oxothian-4-amine
CID 54981615
N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide
CID 43672871
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
4-methyl-3-[(1-oxothian-4-yl)amino]benzenesulfonamide
CID 54981628
N-(3-methoxy-2,4-dimethylphenyl)-1-oxothian-4-amine
CID 54981964
N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide
CID 80561000

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide (CID 54981771) is N-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide is CC(=O)Nc1cc(NC2CCS(=O)CC2)ccc1C.
What is the InChIKey of N-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide?
The InChIKey is UGODKLHRLMUZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-3-4-13(9-14(10)15-11(2)17)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-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide?
N-[2-methyl-5-[(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-[2-methyl-5-[(1-oxothian-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 54981771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).