5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide

C15H10ClNO3S — CID 16638853

IUPAC5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21
InChIInChI=1S/C15H10ClNO3S/c16-7-3-4-8-9(6-7)11(14(19)12(8)15(17)20)13(18)10-2-1-5-21-10/h1-6,11-12H,(H2,17,20)
InChIKeyMCEDJCCQWFQNGW-UHFFFAOYSA-N
MW319.77 g/mol
LogP2.52
Rot. Bonds3

About 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide

5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide (PubChem CID 16638853) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide
PubChem CID16638853
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Name5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21
InChIInChI=1S/C15H10ClNO3S/c16-7-3-4-8-9(6-7)11(14(19)12(8)15(17)20)13(18)10-2-1-5-21-10/h1-6,11-12H,(H2,17,20)
InChIKeyMCEDJCCQWFQNGW-UHFFFAOYSA-N
XLogP2.52
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide
CID 174687426
2-chloroethyl 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indole-1-carboxylate
CID 67702358
benzyl 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indole-1-carboxylate
CID 67701019
5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one
CID 142844646
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
2-(2,4-dichlorophenyl)-4-hydroxy-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 146023223
1-(2,4-dichlorophenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126060994
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
2-(3-chlorophenoxy)-1-thiophen-2-ylethanone
CID 60625787
(1S,2R)-1-(4-chlorophenyl)-6,6-dimethyl-2-(thiophene-2-carbonyl)-5,7-dioxaspiro[2.5]octane-4,8-dione
CID 102478077
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113050818
(5R)-7-chloro-5-phenyl-4-(thiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide?
The IUPAC name of 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide (CID 16638853) is 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide?
The canonical SMILES for 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide is NC(=O)C1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide?
The InChIKey is MCEDJCCQWFQNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c16-7-3-4-8-9(6-7)11(14(19)12(8)15(17)20)13(18)10-2-1-5-21-10/h1-6,11-12H,(H2,17,20).
What are the key properties of 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide?
5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide has a molecular weight of 319.77 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 16638853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).