2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

C15H20N2O2S — CID 1222492

IUPAC2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CC2)sc2c1CCCCCC2
InChIInChI=1S/C15H20N2O2S/c16-13(18)12-10-5-3-1-2-4-6-11(10)20-15(12)17-14(19)9-7-8-9/h9H,1-8H2,(H2,16,18)(H,17,19)
InChIKeyCGMGFGGJVIOZRH-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.85
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (PubChem CID 1222492) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
PubChem CID1222492
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CC2)sc2c1CCCCCC2
InChIInChI=1S/C15H20N2O2S/c16-13(18)12-10-5-3-1-2-4-6-11(10)20-15(12)17-14(19)9-7-8-9/h9H,1-8H2,(H2,16,18)(H,17,19)
InChIKeyCGMGFGGJVIOZRH-UHFFFAOYSA-N
XLogP2.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide with MolForge

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Related Compounds

2-((Cyclopropylcarbonyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673481
Methyl (3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate
CID 2887176
2-(2-chloroacetamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CID 3518628
methyl N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamate
CID 2162673
4-Ethyl-5-methyl-2-{[(2-phenylcyclopropyl)carbonyl]amino}-3-thiophenecarboxamide
CID 2933190
2-[(2-Ethylbutanoyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3652254
2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 678521
2-(Acetylamino)-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxamide
CID 887901
2-(propanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3000134
2-[(2,2-dimethylpropanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3260381
2-({[3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3118317
5-Benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675873

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CID 1222492) is 2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is NC(=O)c1c(NC(=O)C2CC2)sc2c1CCCCCC2.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The InChIKey is CGMGFGGJVIOZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-13(18)12-10-5-3-1-2-4-6-11(10)20-15(12)17-14(19)9-7-8-9/h9H,1-8H2,(H2,16,18)(H,17,19).
What are the key properties of 2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is sourced from PubChem (CID 1222492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).