2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide

C14H16N2O3S — CID 69447634

IUPAC2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide
SMILESCC1CC1C(=O)Nc1sc2c(c1C(N)=O)CCC(=O)C2
InChIInChI=1S/C14H16N2O3S/c1-6-4-9(6)13(19)16-14-11(12(15)18)8-3-2-7(17)5-10(8)20-14/h6,9H,2-5H2,1H3,(H2,15,18)(H,16,19)
InChIKeyIGSTVGQNXLPGLS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.50
Rot. Bonds3

About 2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide

2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide (PubChem CID 69447634) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide
PubChem CID69447634
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide
SMILESCC1CC1C(=O)Nc1sc2c(c1C(N)=O)CCC(=O)C2
InChIInChI=1S/C14H16N2O3S/c1-6-4-9(6)13(19)16-14-11(12(15)18)8-3-2-7(17)5-10(8)20-14/h6,9H,2-5H2,1H3,(H2,15,18)(H,16,19)
InChIKeyIGSTVGQNXLPGLS-UHFFFAOYSA-N
XLogP1.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

6-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 69447837
(1S,6R)-6-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27521541
(1R,6R)-6-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27521545
(1S,6R)-6-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27521552
trans-(1R,2R)-2-[(3-carbamoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40558883
(6E)-2-(cyclopropanecarbonylamino)-6-hydroxyimino-5,7-dihydro-4H-1-benzothiophene-3-carboxamide
CID 87837050
2-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 713215
6-[(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2932693
6-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2862578
(6R)-6-methyl-2-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7118600
(1S,6S)-6-[[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27522723
2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2850359

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide (CID 69447634) is 2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide is CC1CC1C(=O)Nc1sc2c(c1C(N)=O)CCC(=O)C2.
What is the InChIKey of 2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide?
The InChIKey is IGSTVGQNXLPGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-6-4-9(6)13(19)16-14-11(12(15)18)8-3-2-7(17)5-10(8)20-14/h6,9H,2-5H2,1H3,(H2,15,18)(H,16,19).
What are the key properties of 2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide?
2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropanecarbonyl)amino]-6-oxo-5,7-dihydro-4H-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 69447634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).