N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide

C13H20N2O3S2 — CID 61244512

IUPACN-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCCC1CCC(NC(=O)c2csc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C13H20N2O3S2/c1-2-9-3-5-11(6-4-9)15-13(16)10-7-12(19-8-10)20(14,17)18/h7-9,11H,2-6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCBDBXPGPGGLCGW-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.09
Rot. Bonds4

About N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide

N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide (PubChem CID 61244512) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide
PubChem CID61244512
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCCC1CCC(NC(=O)c2csc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C13H20N2O3S2/c1-2-9-3-5-11(6-4-9)15-13(16)10-7-12(19-8-10)20(14,17)18/h7-9,11H,2-6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCBDBXPGPGGLCGW-UHFFFAOYSA-N
XLogP2.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
N-(oxolan-3-yl)-5-sulfamoylthiophene-3-carboxamide
CID 80715507
N-(4-ethylcyclohexyl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60759072
4-[(4-ethylcyclohexyl)methylcarbamoyl]thiophene-2-sulfonyl chloride
CID 65397370
4-amino-N-(4-ethylcyclohexyl)-3-hydroxybenzamide
CID 107074880
N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60739481
[2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 27936183
N-cyclopropyl-5-propylthiophene-3-carboxamide
CID 1244120
N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 115631261
N-[3-(aminomethyl)pentan-3-yl]-5-sulfamoylthiophene-3-carboxamide
CID 119569037
N-[4-[(4-ethylcyclohexyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 112816443
3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
CID 113460730

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide (CID 61244512) is N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide is CCC1CCC(NC(=O)c2csc(S(N)(=O)=O)c2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is CBDBXPGPGGLCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-2-9-3-5-11(6-4-9)15-13(16)10-7-12(19-8-10)20(14,17)18/h7-9,11H,2-6H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide?
N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 61244512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).