N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide

C17H14N4O2S — CID 8890953

IUPACN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cnc3ccccc3n2)sc2c1CCC2
InChIInChI=1S/C17H14N4O2S/c18-15(22)14-9-4-3-7-13(9)24-17(14)21-16(23)12-8-19-10-5-1-2-6-11(10)20-12/h1-2,5-6,8H,3-4,7H2,(H2,18,22)(H,21,23)
InChIKeyGVCNOXJOFHZKFG-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.53
Rot. Bonds3

About N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide

N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide (PubChem CID 8890953) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide
PubChem CID8890953
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC NameN-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cnc3ccccc3n2)sc2c1CCC2
InChIInChI=1S/C17H14N4O2S/c18-15(22)14-9-4-3-7-13(9)24-17(14)21-16(23)12-8-19-10-5-1-2-6-11(10)20-12/h1-2,5-6,8H,3-4,7H2,(H2,18,22)(H,21,23)
InChIKeyGVCNOXJOFHZKFG-UHFFFAOYSA-N
XLogP2.53
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoxaline-2-carboxamide
CID 17490319
2-[(2-chlorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 4592657
2-[(4-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4511414
2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673603
2-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 712897
2-N,5-N-bis(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2,5-dicarboxamide
CID 5228452
6-O-ethyl 3-O-methyl 2-(quinoxaline-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 43993374
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(2-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093886
2-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 5215688
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 5189913
2-(1,3-thiazole-4-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 63023194
2-[(2,3,6-trichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 19171118

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide (CID 8890953) is N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide is NC(=O)c1c(NC(=O)c2cnc3ccccc3n2)sc2c1CCC2.
What is the InChIKey of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide?
The InChIKey is GVCNOXJOFHZKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c18-15(22)14-9-4-3-7-13(9)24-17(14)21-16(23)12-8-19-10-5-1-2-6-11(10)20-12/h1-2,5-6,8H,3-4,7H2,(H2,18,22)(H,21,23).
What are the key properties of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide?
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 8890953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).