2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide

C14H16N2O3S — CID 146278815

IUPAC2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2=O
InChIInChI=1S/C14H16N2O3S/c1-15-13(19)10-8-3-2-4-9(17)11(8)20-14(10)16-12(18)7-5-6-7/h7H,2-6H2,1H3,(H,15,19)(H,16,18)
InChIKeyHWHNFZWLUTZSNM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.98
Rot. Bonds3

About 2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide

2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide (PubChem CID 146278815) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide
PubChem CID146278815
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide
SMILESCNC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2=O
InChIInChI=1S/C14H16N2O3S/c1-15-13(19)10-8-3-2-4-9(17)11(8)20-14(10)16-12(18)7-5-6-7/h7H,2-6H2,1H3,(H,15,19)(H,16,18)
InChIKeyHWHNFZWLUTZSNM-UHFFFAOYSA-N
XLogP1.98
TPSA75.27 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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropanecarbonylamino)-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide
CID 59014261
2-(cyclopropanecarbonylamino)-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7475021
ethyl 7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
CID 2830694
N-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68909831
ethyl 2-[[2-(diethylamino)acetyl]amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
CID 3123927
ethyl 2-(cyclopropanecarbonylamino)-3-(cyclopropylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophene-7-carboxylate
CID 146278898
6,6-dibromo-2-(cyclopropanecarbonylamino)-7-oxo-4,5-dihydro-1-benzothiophene-3-carboxamide
CID 59014248
1-acetyl-N-[3-(cyclopropylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-4-carboxamide
CID 6468788
5-amino-2-(cyclopropanecarbonylamino)-N-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 153377127
2-[(3,5-dichlorobenzoyl)amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 7474983
4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclohexane-1-carboxamide
CID 61260760
methyl 2-(methoxycarbonylamino)-6-oxo-4,5-dihydrocyclopenta[b]thiophene-3-carboxylate
CID 16639326

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide (CID 146278815) is 2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide is CNC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2=O.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide?
The InChIKey is HWHNFZWLUTZSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-15-13(19)10-8-3-2-4-9(17)11(8)20-14(10)16-12(18)7-5-6-7/h7H,2-6H2,1H3,(H,15,19)(H,16,18).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide?
2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-methyl-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 146278815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).