5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide

C12H13ClN2OS — CID 55021425

IUPAC5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C12H13ClN2OS/c13-10-5-4-9(17-10)11(16)15-12(8-14)6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,15,16)
InChIKeyMSEDVFOOFRKDBB-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.36
Rot. Bonds2

About 5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide

5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide (PubChem CID 55021425) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
PubChem CID55021425
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Cl)s2)CCCCC1
InChIInChI=1S/C12H13ClN2OS/c13-10-5-4-9(17-10)11(16)15-12(8-14)6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,15,16)
InChIKeyMSEDVFOOFRKDBB-UHFFFAOYSA-N
XLogP3.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
CID 55024708
5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide
CID 55029231
N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide
CID 54940554
5-chloro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]thiophene-2-carboxamide
CID 76938327
5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide
CID 79964378
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65450610
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide
CID 56791272

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide (CID 55021425) is 5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide is N#CC1(NC(=O)c2ccc(Cl)s2)CCCCC1.
What is the InChIKey of 5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide?
The InChIKey is MSEDVFOOFRKDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c13-10-5-4-9(17-10)11(16)15-12(8-14)6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,15,16).
What are the key properties of 5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide?
5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide has a molecular weight of 268.77 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 55021425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).