N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide

C16H22N2O3S — CID 2862768

IUPACN-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCCCC2
InChIInChI=1S/C16H22N2O3S/c17-14(19)13-10-6-3-1-2-4-8-12(10)22-16(13)18-15(20)11-7-5-9-21-11/h11H,1-9H2,(H2,17,19)(H,18,20)
InChIKeyJJTZWRPLMGBWMZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.62
Rot. Bonds3

About N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide

N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide (PubChem CID 2862768) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide
PubChem CID2862768
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCCCC2
InChIInChI=1S/C16H22N2O3S/c17-14(19)13-10-6-3-1-2-4-8-12(10)22-16(13)18-15(20)11-7-5-9-21-11/h11H,1-9H2,(H2,17,19)(H,18,20)
InChIKeyJJTZWRPLMGBWMZ-UHFFFAOYSA-N
XLogP2.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide (CID 2862768) is N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide is NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCCCC2.
What is the InChIKey of N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide?
The InChIKey is JJTZWRPLMGBWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c17-14(19)13-10-6-3-1-2-4-8-12(10)22-16(13)18-15(20)11-7-5-9-21-11/h11H,1-9H2,(H2,17,19)(H,18,20).
What are the key properties of N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide?
N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 2862768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).