5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one

C18H16ClNO3S — CID 142844646

IUPAC5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one
SMILESCCC(C)C(=O)N1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21
InChIInChI=1S/C18H16ClNO3S/c1-3-10(2)17(22)20-13-7-6-11(19)9-12(13)15(18(20)23)16(21)14-5-4-8-24-14/h4-10,15H,3H2,1-2H3
InChIKeyNUIQFWVQBODWOV-UHFFFAOYSA-N
MW361.85 g/mol
LogP4.29
Rot. Bonds4

About 5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one

5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one (PubChem CID 142844646) has the molecular formula C18H16ClNO3S and a molecular weight of 361.85 g/mol. Its IUPAC name is 5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one
PubChem CID142844646
Molecular FormulaC18H16ClNO3S
Molecular Weight361.85 g/mol
Exact Mass361.05
IUPAC Name5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one
SMILESCCC(C)C(=O)N1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21
InChIInChI=1S/C18H16ClNO3S/c1-3-10(2)17(22)20-13-7-6-11(19)9-12(13)15(18(20)23)16(21)14-5-4-8-24-14/h4-10,15H,3H2,1-2H3
InChIKeyNUIQFWVQBODWOV-UHFFFAOYSA-N
XLogP4.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indol-1-yl]formamide
CID 174687426
5-chloro-3-(5-iodothiophene-2-carbonyl)-2-oxo-3H-indole-1-carboxamide
CID 15896283
5-chloro-2-oxo-3-(thiophene-2-carbonyl)-1,3-dihydroindene-1-carboxamide
CID 16638853
3-(3-bromothiophene-2-carbonyl)-5-chloro-2-oxo-3H-indole-1-carboxamide
CID 70222745
6-chloro-1-(3,4-dihydroxybenzoyl)-3-(thiophene-2-carbonyl)-3,4-dihydroquinolin-2-one
CID 139623149
(3S)-5-chloro-N-ethyl-3-(5-methylpyrazine-2-carbonyl)-2-oxo-3H-indole-1-carboxamide
CID 98176139
(10S,11R,15S,16R)-13-butyl-5-chloro-16-(thiophene-2-carbonyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 124823555
1-(2,4-dichlorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 46036548
(1R,11R,12S,16S)-14-(2,4-dichlorophenyl)-11-(thiophene-2-carbonyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
CID 40937206
7-chloro-4-(2-ethylbutanoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 23877732

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one?
The IUPAC name of 5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one (CID 142844646) is 5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one.
What is the SMILES notation for 5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one?
The canonical SMILES for 5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one is CCC(C)C(=O)N1C(=O)C(C(=O)c2cccs2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one?
The InChIKey is NUIQFWVQBODWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S/c1-3-10(2)17(22)20-13-7-6-11(19)9-12(13)15(18(20)23)16(21)14-5-4-8-24-14/h4-10,15H,3H2,1-2H3.
What are the key properties of 5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one?
5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one has a molecular weight of 361.85 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methylbutanoyl)-3-(thiophene-2-carbonyl)-3H-indol-2-one is sourced from PubChem (CID 142844646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).