4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride

C14H20ClNO3S2 — CID 79808812

IUPAC4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride
SMILESCCC1CCC(NC(=O)c2csc(S(=O)(=O)Cl)c2C)CC1
InChIInChI=1S/C14H20ClNO3S2/c1-3-10-4-6-11(7-5-10)16-13(17)12-8-20-14(9(12)2)21(15,18)19/h8,10-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyGXOPSAZEPAMYSV-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.68
Rot. Bonds4

About 4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride

4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride (PubChem CID 79808812) has the molecular formula C14H20ClNO3S2 and a molecular weight of 349.91 g/mol. Its IUPAC name is 4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride
PubChem CID79808812
Molecular FormulaC14H20ClNO3S2
Molecular Weight349.91 g/mol
Exact Mass349.06
IUPAC Name4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride
SMILESCCC1CCC(NC(=O)c2csc(S(=O)(=O)Cl)c2C)CC1
InChIInChI=1S/C14H20ClNO3S2/c1-3-10-4-6-11(7-5-10)16-13(17)12-8-20-14(9(12)2)21(15,18)19/h8,10-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyGXOPSAZEPAMYSV-UHFFFAOYSA-N
XLogP3.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79808381
4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride
CID 79808886
3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79808782
N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide
CID 61244512
3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79807541
4-carbamoyl-3-methylthiophene-2-sulfonyl chloride
CID 79807645
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
N-(4-ethylcyclohexyl)-2-hydrazinyl-5-methylbenzamide
CID 62511302
ethyl 4-[(4-ethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697832
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide
CID 106853765

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride?
The IUPAC name of 4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride (CID 79808812) is 4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride?
The canonical SMILES for 4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride is CCC1CCC(NC(=O)c2csc(S(=O)(=O)Cl)c2C)CC1.
What is the InChIKey of 4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride?
The InChIKey is GXOPSAZEPAMYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S2/c1-3-10-4-6-11(7-5-10)16-13(17)12-8-20-14(9(12)2)21(15,18)19/h8,10-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride?
4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride has a molecular weight of 349.91 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 79808812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).