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

C15H20N2O3S — CID 2932390

IUPACN-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCCC2
InChIInChI=1S/C15H20N2O3S/c16-13(18)12-9-5-2-1-3-7-11(9)21-15(12)17-14(19)10-6-4-8-20-10/h10H,1-8H2,(H2,16,18)(H,17,19)
InChIKeyMOKUNJNYIKOAOF-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.23
Rot. Bonds3

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

N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide (PubChem CID 2932390) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide
PubChem CID2932390
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCCC2
InChIInChI=1S/C15H20N2O3S/c16-13(18)12-9-5-2-1-3-7-11(9)21-15(12)17-14(19)10-6-4-8-20-10/h10H,1-8H2,(H2,16,18)(H,17,19)
InChIKeyMOKUNJNYIKOAOF-UHFFFAOYSA-N
XLogP2.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide (CID 2932390) is N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide is NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCCC2.
What is the InChIKey of N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide?
The InChIKey is MOKUNJNYIKOAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-13(18)12-9-5-2-1-3-7-11(9)21-15(12)17-14(19)10-6-4-8-20-10/h10H,1-8H2,(H2,16,18)(H,17,19).
What are the key properties of N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide?
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 2932390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).