2,5-dichloro-N-cyclopropylthiophene-3-carboxamide

C8H7Cl2NOS — CID 27537328

IUPAC2,5-dichloro-N-cyclopropylthiophene-3-carboxamide
SMILESO=C(NC1CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H7Cl2NOS/c9-6-3-5(7(10)13-6)8(12)11-4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKeyYADFLXCQEXSQAL-UHFFFAOYSA-N
MW236.12 g/mol
LogP2.95
Rot. Bonds2

About 2,5-dichloro-N-cyclopropylthiophene-3-carboxamide

2,5-dichloro-N-cyclopropylthiophene-3-carboxamide (PubChem CID 27537328) has the molecular formula C8H7Cl2NOS and a molecular weight of 236.12 g/mol. Its IUPAC name is 2,5-dichloro-N-cyclopropylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-cyclopropylthiophene-3-carboxamide
PubChem CID27537328
Molecular FormulaC8H7Cl2NOS
Molecular Weight236.12 g/mol
Exact Mass234.96
IUPAC Name2,5-dichloro-N-cyclopropylthiophene-3-carboxamide
SMILESO=C(NC1CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H7Cl2NOS/c9-6-3-5(7(10)13-6)8(12)11-4-1-2-4/h3-4H,1-2H2,(H,11,12)
InChIKeyYADFLXCQEXSQAL-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-Dichloro-3-thenoyl)-3-methyl-2-piperazinone
CID 44116488
4-(2,5-Dichlorothiophene-3-carbonyl)-3,3-dimethylpiperazin-2-one
CID 16863801
2,5-dichloro-N-[3-(trifluoromethyl)cyclohexyl]thiophene-3-carboxamide
CID 86916755
N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide
CID 104954947
N-(3-amino-2,2-difluoropropyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride
CID 120410010
2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
CID 120811652
2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 120811653
2-[(2,5-Dichlorothiophene-3-carbonyl)amino]-3-fluoropropanoic acid
CID 121946224
2,5-dichloro-N-(2-fluoroethyl)thiophene-3-carboxamide
CID 130829968
5-chloro-N-(2,2-difluoroethyl)thiophene-3-carboxamide
CID 131102984
2,5-dichloro-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 133943998
2-chloro-N-(2-fluoroethyl)thiophene-3-carboxamide
CID 178360291

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-cyclopropylthiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-cyclopropylthiophene-3-carboxamide (CID 27537328) is 2,5-dichloro-N-cyclopropylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-cyclopropylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-cyclopropylthiophene-3-carboxamide is O=C(NC1CC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-cyclopropylthiophene-3-carboxamide?
The InChIKey is YADFLXCQEXSQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NOS/c9-6-3-5(7(10)13-6)8(12)11-4-1-2-4/h3-4H,1-2H2,(H,11,12).
What are the key properties of 2,5-dichloro-N-cyclopropylthiophene-3-carboxamide?
2,5-dichloro-N-cyclopropylthiophene-3-carboxamide has a molecular weight of 236.12 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-cyclopropylthiophene-3-carboxamide is sourced from PubChem (CID 27537328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).