N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C17H17N3O4S2 — CID 129398844

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)c3cc4c(s3)CCC4)ccc21
InChIInChI=1S/C17H17N3O4S2/c1-19-12-7-6-11(9-13(12)20(2)17(19)22)26(23,24)18-16(21)15-8-10-4-3-5-14(10)25-15/h6-9H,3-5H2,1-2H3,(H,18,21)
InChIKeyICUIZPNVNQIODQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.55
Rot. Bonds3

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 129398844) has the molecular formula C17H17N3O4S2 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID129398844
Molecular FormulaC17H17N3O4S2
Molecular Weight391.47 g/mol
Exact Mass391.07
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)c3cc4c(s3)CCC4)ccc21
InChIInChI=1S/C17H17N3O4S2/c1-19-12-7-6-11(9-13(12)20(2)17(19)22)26(23,24)18-16(21)15-8-10-4-3-5-14(10)25-15/h6-9H,3-5H2,1-2H3,(H,18,21)
InChIKeyICUIZPNVNQIODQ-UHFFFAOYSA-N
XLogP1.55
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)sulfonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 86977700
N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 30782322
3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-N-methylbenzenesulfonamide
CID 27684841
N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 50796604
N-cyclopropyl-4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 31846647
3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 24634813
N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]-4-fluorobenzenesulfonamide
CID 27684840
N-(3-methyl-2,4-dioxoimidazolidin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 75398305
N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684415
N'-(4-propylphenyl)sulfonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 8500358
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
methyl 3-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)sulfamoyl]benzoate
CID 31702422

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 129398844) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)c3cc4c(s3)CCC4)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is ICUIZPNVNQIODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S2/c1-19-12-7-6-11(9-13(12)20(2)17(19)22)26(23,24)18-16(21)15-8-10-4-3-5-14(10)25-15/h6-9H,3-5H2,1-2H3,(H,18,21).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 129398844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).