2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide

C13H11Cl2NO3S — CID 30272266

IUPAC2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Cl)sc2Cl)cc(OC)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-18-8-3-7(4-9(5-8)19-2)16-13(17)10-6-11(14)20-12(10)15/h3-6H,1-2H3,(H,16,17)
InChIKeyRWLKAMAOSGFVRY-UHFFFAOYSA-N
MW332.21 g/mol
LogP4.32
Rot. Bonds4

About 2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide

2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide (PubChem CID 30272266) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
PubChem CID30272266
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Cl)sc2Cl)cc(OC)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-18-8-3-7(4-9(5-8)19-2)16-13(17)10-6-11(14)20-12(10)15/h3-6H,1-2H3,(H,16,17)
InChIKeyRWLKAMAOSGFVRY-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296
2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020390
2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 885585
(2-amino-3,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 115950897
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826
N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602
N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113228330
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanone
CID 43167322

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide (CID 30272266) is 2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide is COc1cc(NC(=O)c2cc(Cl)sc2Cl)cc(OC)c1.
What is the InChIKey of 2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide?
The InChIKey is RWLKAMAOSGFVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-18-8-3-7(4-9(5-8)19-2)16-13(17)10-6-11(14)20-12(10)15/h3-6H,1-2H3,(H,16,17).
What are the key properties of 2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide?
2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide has a molecular weight of 332.21 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 30272266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).