3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide

C23H23N3O4S2 — CID 24634813

IUPAC3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3cc4c(s3)CCC4)c2)cc1
InChIInChI=1S/C23H23N3O4S2/c1-14-6-9-17(10-7-14)26-32(29,30)18-11-8-15(2)19(13-18)22(27)24-25-23(28)21-12-16-4-3-5-20(16)31-21/h6-13,26H,3-5H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyHQIUZYHOTOCWNG-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.73
Rot. Bonds5

About 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide

3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 24634813) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID24634813
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC Name3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3cc4c(s3)CCC4)c2)cc1
InChIInChI=1S/C23H23N3O4S2/c1-14-6-9-17(10-7-14)26-32(29,30)18-11-8-15(2)19(13-18)22(27)24-25-23(28)21-12-16-4-3-5-20(16)31-21/h6-13,26H,3-5H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyHQIUZYHOTOCWNG-UHFFFAOYSA-N
XLogP3.73
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide 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

N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]-4-fluorobenzenesulfonamide
CID 27684840
N,2-dimethyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 51163000
3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-N-methylbenzenesulfonamide
CID 27684841
N-cyclohexyl-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 26534981
2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)hydrazinyl]ethyl]acetamide
CID 24553835
N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26872757
N-(2-amino-2-methylpropyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119630221
N-(cyclopropylmethyl)-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 24670405
3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886954
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 5216029
3-[[2-(4-fluorophenoxy)propanoylamino]carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43004149

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 24634813) is 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3cc4c(s3)CCC4)c2)cc1.
What is the InChIKey of 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is HQIUZYHOTOCWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-14-6-9-17(10-7-14)26-32(29,30)18-11-8-15(2)19(13-18)22(27)24-25-23(28)21-12-16-4-3-5-20(16)31-21/h6-13,26H,3-5H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide?
3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 469.59 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 24634813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).