4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide

C13H12ClNO3S — CID 110860596

IUPAC4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)cs2)c(OC)c1
InChIInChI=1S/C13H12ClNO3S/c1-17-9-3-4-10(11(6-9)18-2)15-13(16)12-5-8(14)7-19-12/h3-7H,1-2H3,(H,15,16)
InChIKeyUINWWRUHRXNHDF-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.67
Rot. Bonds4

About 4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide

4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide (PubChem CID 110860596) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
PubChem CID110860596
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)cs2)c(OC)c1
InChIInChI=1S/C13H12ClNO3S/c1-17-9-3-4-10(11(6-9)18-2)15-13(16)12-5-8(14)7-19-12/h3-7H,1-2H3,(H,15,16)
InChIKeyUINWWRUHRXNHDF-UHFFFAOYSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860597
N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(2-chloro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107026835
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108992212
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 75488892
N-(2-fluoro-5-methoxyphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107032493
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide (CID 110860596) is 4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2cc(Cl)cs2)c(OC)c1.
What is the InChIKey of 4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is UINWWRUHRXNHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-17-9-3-4-10(11(6-9)18-2)15-13(16)12-5-8(14)7-19-12/h3-7H,1-2H3,(H,15,16).
What are the key properties of 4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide?
4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 297.76 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 110860596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).