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

C15H20N2O3S — CID 2862121

IUPACN-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide
SMILESCC1CCc2c(sc(NC(=O)C3CCCO3)c2C(N)=O)C1
InChIInChI=1S/C15H20N2O3S/c1-8-4-5-9-11(7-8)21-15(12(9)13(16)18)17-14(19)10-3-2-6-20-10/h8,10H,2-7H2,1H3,(H2,16,18)(H,17,19)
InChIKeyKUDQQWIBQDKNAV-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.09
Rot. Bonds3

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

N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide (PubChem CID 2862121) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide
PubChem CID2862121
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide
SMILESCC1CCc2c(sc(NC(=O)C3CCCO3)c2C(N)=O)C1
InChIInChI=1S/C15H20N2O3S/c1-8-4-5-9-11(7-8)21-15(12(9)13(16)18)17-14(19)10-3-2-6-20-10/h8,10H,2-7H2,1H3,(H2,16,18)(H,17,19)
InChIKeyKUDQQWIBQDKNAV-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide (CID 2862121) is N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide is CC1CCc2c(sc(NC(=O)C3CCCO3)c2C(N)=O)C1.
What is the InChIKey of N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide?
The InChIKey is KUDQQWIBQDKNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-8-4-5-9-11(7-8)21-15(12(9)13(16)18)17-14(19)10-3-2-6-20-10/h8,10H,2-7H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide?
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 2862121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).