3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide

C12H17Cl2NOS — CID 107157265

IUPAC3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC(Cl)CC(C)C)c1Cl
InChIInChI=1S/C12H17Cl2NOS/c1-7(2)4-9(13)5-15-12(16)11-10(14)8(3)6-17-11/h6-7,9H,4-5H2,1-3H3,(H,15,16)
InChIKeyCDOQMYRNOCWQOH-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.09
Rot. Bonds5

About 3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide

3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide (PubChem CID 107157265) has the molecular formula C12H17Cl2NOS and a molecular weight of 294.25 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide
PubChem CID107157265
Molecular FormulaC12H17Cl2NOS
Molecular Weight294.25 g/mol
Exact Mass293.04
IUPAC Name3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC(Cl)CC(C)C)c1Cl
InChIInChI=1S/C12H17Cl2NOS/c1-7(2)4-9(13)5-15-12(16)11-10(14)8(3)6-17-11/h6-7,9H,4-5H2,1-3H3,(H,15,16)
InChIKeyCDOQMYRNOCWQOH-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.09
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

3-chloro-N-(3-chloropentyl)-4-methylthiophene-2-carboxamide
CID 103406198
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106107878
N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103400298
3-chloro-4-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 103403010
N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
CID 103402961
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 103399973
N-(2-chloro-4-methylpentyl)-2-methylbenzamide
CID 107157210
N-but-3-enyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103403000
N-(4-bromobutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106846016
N-but-3-ynyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405315
N-(1-bromo-3-methylbutan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103406104
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
CID 103407395

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide (CID 107157265) is 3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCC(Cl)CC(C)C)c1Cl.
What is the InChIKey of 3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide?
The InChIKey is CDOQMYRNOCWQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NOS/c1-7(2)4-9(13)5-15-12(16)11-10(14)8(3)6-17-11/h6-7,9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide?
3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide has a molecular weight of 294.25 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 107157265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).