5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide

C11H13Cl2NOS — CID 114301266

IUPAC5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1Cl)c1ccc(Cl)s1
InChIInChI=1S/C11H13Cl2NOS/c12-7-3-1-2-4-8(7)14-11(15)9-5-6-10(13)16-9/h5-8H,1-4H2,(H,14,15)
InChIKeyALYGZILAFNSDNE-UHFFFAOYSA-N
MW278.20 g/mol
LogP3.68
Rot. Bonds2

About 5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide

5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide (PubChem CID 114301266) has the molecular formula C11H13Cl2NOS and a molecular weight of 278.20 g/mol. Its IUPAC name is 5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
PubChem CID114301266
Molecular FormulaC11H13Cl2NOS
Molecular Weight278.20 g/mol
Exact Mass277.01
IUPAC Name5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1Cl)c1ccc(Cl)s1
InChIInChI=1S/C11H13Cl2NOS/c12-7-3-1-2-4-8(7)14-11(15)9-5-6-10(13)16-9/h5-8H,1-4H2,(H,14,15)
InChIKeyALYGZILAFNSDNE-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 114301167
5-chloro-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 114695049
N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301056
5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide
CID 95788483
5-chloro-N-[(1S,2S)-2-(4-chlorophenyl)cyclobutyl]thiophene-2-carboxamide
CID 121377081
5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
CID 105058867
(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 69438976
5-chloro-N-[(3R)-2-oxopiperidin-3-yl]thiophene-2-carboxamide
CID 95048356
5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 55690906
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
5-chloro-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119621242

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide (CID 114301266) is 5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide is O=C(NC1CCCCC1Cl)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide?
The InChIKey is ALYGZILAFNSDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS/c12-7-3-1-2-4-8(7)14-11(15)9-5-6-10(13)16-9/h5-8H,1-4H2,(H,14,15).
What are the key properties of 5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide?
5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide has a molecular weight of 278.20 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chlorocyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 114301266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).