N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide

C14H18N2O3S — CID 2789559

IUPACN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCC2
InChIInChI=1S/C14H18N2O3S/c15-12(17)11-8-4-1-2-6-10(8)20-14(11)16-13(18)9-5-3-7-19-9/h9H,1-7H2,(H2,15,17)(H,16,18)
InChIKeyLCHVRVJNBNSFHV-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.84
Rot. Bonds3

About N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide (PubChem CID 2789559) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide
PubChem CID2789559
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCC2
InChIInChI=1S/C14H18N2O3S/c15-12(17)11-8-4-1-2-6-10(8)20-14(11)16-13(18)9-5-3-7-19-9/h9H,1-7H2,(H2,15,17)(H,16,18)
InChIKeyLCHVRVJNBNSFHV-UHFFFAOYSA-N
XLogP1.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.84
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-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide (CID 2789559) is N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide is NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCC2.
What is the InChIKey of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide?
The InChIKey is LCHVRVJNBNSFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-12(17)11-8-4-1-2-6-10(8)20-14(11)16-13(18)9-5-3-7-19-9/h9H,1-7H2,(H2,15,17)(H,16,18).
What are the key properties of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide?
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.84, 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-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 2789559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).