N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

C15H16N2O3S — CID 7190235

IUPACN-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2
InChIInChI=1S/C15H16N2O3S/c1-16-14(19)12-9-5-2-3-7-11(9)21-15(12)17-13(18)10-6-4-8-20-10/h4,6,8H,2-3,5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeySRQXIQCGTBCHPK-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.83
Rot. Bonds3

About N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide

N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide (PubChem CID 7190235) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
PubChem CID7190235
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2
InChIInChI=1S/C15H16N2O3S/c1-16-14(19)12-9-5-2-3-7-11(9)21-15(12)17-13(18)10-6-4-8-20-10/h4,6,8H,2-3,5,7H2,1H3,(H,16,19)(H,17,18)
InChIKeySRQXIQCGTBCHPK-UHFFFAOYSA-N
XLogP2.83
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide (CID 7190235) is N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide is CNC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2.
What is the InChIKey of N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?
The InChIKey is SRQXIQCGTBCHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-16-14(19)12-9-5-2-3-7-11(9)21-15(12)17-13(18)10-6-4-8-20-10/h4,6,8H,2-3,5,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide?
N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7190235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).