4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide

C12H11ClN2OS — CID 47360120

IUPAC4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide
SMILESO=C(NC1CC1)c1c[nH]cc1-c1ccc(Cl)s1
InChIInChI=1S/C12H11ClN2OS/c13-11-4-3-10(17-11)8-5-14-6-9(8)12(16)15-7-1-2-7/h3-7,14H,1-2H2,(H,15,16)
InChIKeyDOOILROSQOUCID-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.29
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide

4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide (PubChem CID 47360120) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide
PubChem CID47360120
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide
SMILESO=C(NC1CC1)c1c[nH]cc1-c1ccc(Cl)s1
InChIInChI=1S/C12H11ClN2OS/c13-11-4-3-10(17-11)8-5-14-6-9(8)12(16)15-7-1-2-7/h3-7,14H,1-2H2,(H,15,16)
InChIKeyDOOILROSQOUCID-UHFFFAOYSA-N
XLogP3.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 75405279
4-(5-chlorothiophen-2-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1H-pyrrole-3-carboxamide
CID 52537373
N-[2-(benzenesulfonyl)ethyl]-4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carboxamide
CID 47517698
(2R)-2-[[4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363106
(2S)-2-[[4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonyl]amino]hexanoic acid
CID 120615047
4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide
CID 47516911
2-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119389747
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336778
4-(5-chlorothiophen-2-yl)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrrole-3-carboxamide
CID 167943228
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
N-(4-aminocyclohexyl)-2,5-dichlorothiophene-3-carboxamide;hydrochloride
CID 119476389

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide (CID 47360120) is 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide is O=C(NC1CC1)c1c[nH]cc1-c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide?
The InChIKey is DOOILROSQOUCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-11-4-3-10(17-11)8-5-14-6-9(8)12(16)15-7-1-2-7/h3-7,14H,1-2H2,(H,15,16).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide?
4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide has a molecular weight of 266.75 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-cyclopropyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 47360120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).