N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide

C15H22ClNOS — CID 65238018

IUPACN-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(CCCl)C2CCCCC2)sc1C
InChIInChI=1S/C15H22ClNOS/c1-11-10-14(19-12(11)2)15(18)17(9-8-16)13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3
InChIKeyTZKXOZMVXOBKEX-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.38
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide

N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide (PubChem CID 65238018) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide
PubChem CID65238018
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)N(CCCl)C2CCCCC2)sc1C
InChIInChI=1S/C15H22ClNOS/c1-11-10-14(19-12(11)2)15(18)17(9-8-16)13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3
InChIKeyTZKXOZMVXOBKEX-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide (CID 65238018) is N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)N(CCCl)C2CCCCC2)sc1C.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is TZKXOZMVXOBKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-11-10-14(19-12(11)2)15(18)17(9-8-16)13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide?
N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 299.87 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 65238018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).