N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide

C17H15ClN2O2S — CID 46395960

IUPACN-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3C)ccc2s1
InChIInChI=1S/C17H15ClN2O2S/c1-10-3-4-12(18)8-14(10)19-16(21)9-20-6-5-15-13(17(20)22)7-11(2)23-15/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyYYEBQEQPXJXYPM-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.97
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 46395960) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID46395960
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3C)ccc2s1
InChIInChI=1S/C17H15ClN2O2S/c1-10-3-4-12(18)8-14(10)19-16(21)9-20-6-5-15-13(17(20)22)7-11(2)23-15/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyYYEBQEQPXJXYPM-UHFFFAOYSA-N
XLogP3.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46395963
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(3-methoxypropyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396000
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100734930
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(2-amino-4-chlorophenyl)-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 63172766
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
N-(4-chloro-2-methylphenyl)-2-(6-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429967
2-(3-amino-1,2,4-triazol-1-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 54902129
N-(2,5-dimethylphenyl)-2-(5-ethyl-4-oxopyrrolo[3,2-c]pyridin-1-yl)acetamide
CID 46395562
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002
N-(5-chloro-2-methylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841671

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide (CID 46395960) is N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide is Cc1cc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3C)ccc2s1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is YYEBQEQPXJXYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-10-3-4-12(18)8-14(10)19-16(21)9-20-6-5-15-13(17(20)22)7-11(2)23-15/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 346.84 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 46395960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).