4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide

C21H27N3O6S2 — CID 20937366

IUPAC4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3csc(C(N)=O)c3)CC2)cc1OC
InChIInChI=1S/C21H27N3O6S2/c1-29-17-8-7-15(9-18(17)30-2)24-21(26)14-5-3-13(4-6-14)11-23-32(27,28)16-10-19(20(22)25)31-12-16/h7-10,12-14,23H,3-6,11H2,1-2H3,(H2,22,25)(H,24,26)
InChIKeyLUXWIDXSRSROAV-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.59
Rot. Bonds9

About 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide

4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide (PubChem CID 20937366) has the molecular formula C21H27N3O6S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide
PubChem CID20937366
Molecular FormulaC21H27N3O6S2
Molecular Weight481.60 g/mol
Exact Mass481.13
IUPAC Name4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3csc(C(N)=O)c3)CC2)cc1OC
InChIInChI=1S/C21H27N3O6S2/c1-29-17-8-7-15(9-18(17)30-2)24-21(26)14-5-3-13(4-6-14)11-23-32(27,28)16-10-19(20(22)25)31-12-16/h7-10,12-14,23H,3-6,11H2,1-2H3,(H2,22,25)(H,24,26)
InChIKeyLUXWIDXSRSROAV-UHFFFAOYSA-N
XLogP2.59
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide (CID 20937366) is 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide is COc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3csc(C(N)=O)c3)CC2)cc1OC.
What is the InChIKey of 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is LUXWIDXSRSROAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S2/c1-29-17-8-7-15(9-18(17)30-2)24-21(26)14-5-3-13(4-6-14)11-23-32(27,28)16-10-19(20(22)25)31-12-16/h7-10,12-14,23H,3-6,11H2,1-2H3,(H2,22,25)(H,24,26).
What are the key properties of 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide?
4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 2.59, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]cyclohexyl]methylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20937366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).