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

C16H18N2O2S2 — CID 868983

IUPAC2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCCC2
InChIInChI=1S/C16H18N2O2S2/c17-14(19)13-10-6-3-1-2-4-7-11(10)22-16(13)18-15(20)12-8-5-9-21-12/h5,8-9H,1-4,6-7H2,(H2,17,19)(H,18,20)
InChIKeyQICZRYGXNONABL-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.82
Rot. Bonds3

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

2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (PubChem CID 868983) has the molecular formula C16H18N2O2S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
PubChem CID868983
Molecular FormulaC16H18N2O2S2
Molecular Weight334.47 g/mol
Exact Mass334.08
IUPAC Name2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCCC2
InChIInChI=1S/C16H18N2O2S2/c17-14(19)13-10-6-3-1-2-4-7-11(10)22-16(13)18-15(20)12-8-5-9-21-12/h5,8-9H,1-4,6-7H2,(H2,17,19)(H,18,20)
InChIKeyQICZRYGXNONABL-UHFFFAOYSA-N
XLogP3.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The IUPAC name of 2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CID 868983) is 2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCCC2.
What is the InChIKey of 2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The InChIKey is QICZRYGXNONABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S2/c17-14(19)13-10-6-3-1-2-4-7-11(10)22-16(13)18-15(20)12-8-5-9-21-12/h5,8-9H,1-4,6-7H2,(H2,17,19)(H,18,20).
What are the key properties of 2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is sourced from PubChem (CID 868983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).