3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide

C13H17Cl2NOS — CID 106132295

IUPAC3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC2CCCC(Cl)C2)c1Cl
InChIInChI=1S/C13H17Cl2NOS/c1-8-7-18-12(11(8)15)13(17)16-6-9-3-2-4-10(14)5-9/h7,9-10H,2-6H2,1H3,(H,16,17)
InChIKeyGQJVGSYGDUINPO-UHFFFAOYSA-N
MW306.26 g/mol
LogP4.24
Rot. Bonds3

About 3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide

3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide (PubChem CID 106132295) has the molecular formula C13H17Cl2NOS and a molecular weight of 306.26 g/mol. Its IUPAC name is 3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide
PubChem CID106132295
Molecular FormulaC13H17Cl2NOS
Molecular Weight306.26 g/mol
Exact Mass305.04
IUPAC Name3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC2CCCC(Cl)C2)c1Cl
InChIInChI=1S/C13H17Cl2NOS/c1-8-7-18-12(11(8)15)13(17)16-6-9-3-2-4-10(14)5-9/h7,9-10H,2-6H2,1H3,(H,16,17)
InChIKeyGQJVGSYGDUINPO-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 54.24
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-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
CID 106132272
N-[(3-chlorocyclohexyl)methyl]-2-methyl-5-nitrobenzamide
CID 106131813
N-[(3-bromocyclohexyl)methyl]-3-chlorothiophene-2-carboxamide
CID 106133249
N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 106132053
N-[(3-chlorocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106132172
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
N-[(3-chlorocyclopentyl)methyl]-4-methylthiophene-3-carboxamide
CID 106126254
N-[(3-chlorocyclohexyl)methyl]-3-fluoro-5-methylbenzamide
CID 106132483
N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103400298
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylthiophene-2-carboxamide
CID 103403171
N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106132319
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114147630

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide (CID 106132295) is 3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCC2CCCC(Cl)C2)c1Cl.
What is the InChIKey of 3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is GQJVGSYGDUINPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NOS/c1-8-7-18-12(11(8)15)13(17)16-6-9-3-2-4-10(14)5-9/h7,9-10H,2-6H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide?
3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 306.26 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 106132295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).