4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride

C14H20ClNO3S2 — CID 65397370

IUPAC4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
SMILESCCC1CCC(CNC(=O)c2csc(S(=O)(=O)Cl)c2)CC1
InChIInChI=1S/C14H20ClNO3S2/c1-2-10-3-5-11(6-4-10)8-16-14(17)12-7-13(20-9-12)21(15,18)19/h7,9-11H,2-6,8H2,1H3,(H,16,17)
InChIKeyBFRACASHRNHJCG-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.62
Rot. Bonds5

About 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride

4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride (PubChem CID 65397370) has the molecular formula C14H20ClNO3S2 and a molecular weight of 349.91 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
PubChem CID65397370
Molecular FormulaC14H20ClNO3S2
Molecular Weight349.91 g/mol
Exact Mass349.06
IUPAC Name4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
SMILESCCC1CCC(CNC(=O)c2csc(S(=O)(=O)Cl)c2)CC1
InChIInChI=1S/C14H20ClNO3S2/c1-2-10-3-5-11(6-4-10)8-16-14(17)12-7-13(20-9-12)21(15,18)19/h7,9-11H,2-6,8H2,1H3,(H,16,17)
InChIKeyBFRACASHRNHJCG-UHFFFAOYSA-N
XLogP3.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclopentylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65371125
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997
4-(oxolan-2-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368622
4-(pentylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65368999
4-(hexylcarbamoyl)thiophene-2-sulfonyl chloride
CID 65397268
N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide
CID 61244512
4-(2-methoxypropylcarbamoyl)thiophene-2-sulfonyl chloride
CID 102701127
4-(5-ethyl-2-methylpiperidine-1-carbonyl)thiophene-2-sulfonyl chloride
CID 112734617
4-[cyclopropyl(cyclopropylmethyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65396129
4-(2-propan-2-yloxyethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 104766562
4-[(1-methylcyclopentyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 65398442

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride (CID 65397370) is 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride is CCC1CCC(CNC(=O)c2csc(S(=O)(=O)Cl)c2)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride?
The InChIKey is BFRACASHRNHJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S2/c1-2-10-3-5-11(6-4-10)8-16-14(17)12-7-13(20-9-12)21(15,18)19/h7,9-11H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride?
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride has a molecular weight of 349.91 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65397370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).