2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C24H33N3O4S2 — CID 27532365

IUPAC2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CCC2
InChIInChI=1S/C24H33N3O4S2/c1-15(2)13-27(14-16(3)4)33(30,31)18-11-9-17(10-12-18)22(28)26-24-21(23(29)25-5)19-7-6-8-20(19)32-24/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyWYLAYZJSXDOMOR-UHFFFAOYSA-N
MW491.68 g/mol
LogP4.15
Rot. Bonds9

About 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 27532365) has the molecular formula C24H33N3O4S2 and a molecular weight of 491.68 g/mol. Its IUPAC name is 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID27532365
Molecular FormulaC24H33N3O4S2
Molecular Weight491.68 g/mol
Exact Mass491.19
IUPAC Name2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CCC2
InChIInChI=1S/C24H33N3O4S2/c1-15(2)13-27(14-16(3)4)33(30,31)18-11-9-17(10-12-18)22(28)26-24-21(23(29)25-5)19-7-6-8-20(19)32-24/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyWYLAYZJSXDOMOR-UHFFFAOYSA-N
XLogP4.15
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.68
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 27621305
4-[bis(2-methylpropyl)sulfamoyl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 3584634
2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 27638618
2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4184678
methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 23964322
N-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16825443
methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 23884284
2-[[4-(dipropylsulfamoyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1355176
methyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 16806146
methyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 16806147
2-[(4-ethoxybenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475029
2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4144655

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 27532365) is 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is CNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CCC2.
What is the InChIKey of 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is WYLAYZJSXDOMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S2/c1-15(2)13-27(14-16(3)4)33(30,31)18-11-9-17(10-12-18)22(28)26-24-21(23(29)25-5)19-7-6-8-20(19)32-24/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,25,29)(H,26,28).
What are the key properties of 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 491.68 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 27532365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).