4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide

C13H20N2O3S2 — CID 6502898

IUPAC4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C13H20N2O3S2/c1-9-12(8-11(19-9)13(14)16)20(17,18)15-10-6-4-2-3-5-7-10/h8,10,15H,2-7H2,1H3,(H2,14,16)
InChIKeyZSDXQLOVZSJSFM-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.16
Rot. Bonds4

About 4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide

4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide (PubChem CID 6502898) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide
PubChem CID6502898
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C13H20N2O3S2/c1-9-12(8-11(19-9)13(14)16)20(17,18)15-10-6-4-2-3-5-7-10/h8,10,15H,2-7H2,1H3,(H2,14,16)
InChIKeyZSDXQLOVZSJSFM-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylsulfamoyl)-5-methylthiophene-2-carboxamide
CID 6502872
4-(cyclobutylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63329014
4-(cycloheptylsulfamoyl)thiophene-2-carboxamide
CID 6486058
4-[(4-ethylcyclohexyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329133
N-cycloheptyl-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 53138840
5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 80716792
N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide
CID 46392966
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
4-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]sulfamoyl]-5-methylthiophene-2-carboxamide
CID 97260672
N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079450
4-[(4-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide
CID 6502862
4-[(1-benzylpiperidin-3-yl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113239305

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide (CID 6502898) is 4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide is Cc1sc(C(N)=O)cc1S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of 4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide?
The InChIKey is ZSDXQLOVZSJSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-9-12(8-11(19-9)13(14)16)20(17,18)15-10-6-4-2-3-5-7-10/h8,10,15H,2-7H2,1H3,(H2,14,16).
What are the key properties of 4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide?
4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptylsulfamoyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 6502898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).