N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide

C20H28N2O3S — CID 50760091

IUPACN-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide
SMILESCC(C)=C1C(=O)N(C)c2ccc(S(=O)(=O)NC3CCCCCCC3)cc21
InChIInChI=1S/C20H28N2O3S/c1-14(2)19-17-13-16(11-12-18(17)22(3)20(19)23)26(24,25)21-15-9-7-5-4-6-8-10-15/h11-13,15,21H,4-10H2,1-3H3
InChIKeyRQPXUSLPAIHJRS-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.85
Rot. Bonds3

About N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide

N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide (PubChem CID 50760091) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide
PubChem CID50760091
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide
SMILESCC(C)=C1C(=O)N(C)c2ccc(S(=O)(=O)NC3CCCCCCC3)cc21
InChIInChI=1S/C20H28N2O3S/c1-14(2)19-17-13-16(11-12-18(17)22(3)20(19)23)26(24,25)21-15-9-7-5-4-6-8-10-15/h11-13,15,21H,4-10H2,1-3H3
InChIKeyRQPXUSLPAIHJRS-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide 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

N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide
CID 5115250
4-acetyl-N-cycloheptyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 126457873
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
N-(1-benzylpiperidin-4-yl)-3-cyclopentylidene-1-methyl-2-oxoindole-5-sulfonamide
CID 50760062
N-[2-chloro-4-(cyclopentylsulfamoyl)phenyl]acetamide
CID 5178972
N-(4-methylcyclohexyl)-2-oxo-3-propan-2-ylidene-1H-indole-5-sulfonamide
CID 50760174
N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759146
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
5-acetyl-N-cyclopentyl-3,4-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20947042

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide?
The IUPAC name of N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide (CID 50760091) is N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide.
What is the SMILES notation for N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide?
The canonical SMILES for N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide is CC(C)=C1C(=O)N(C)c2ccc(S(=O)(=O)NC3CCCCCCC3)cc21.
What is the InChIKey of N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide?
The InChIKey is RQPXUSLPAIHJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-14(2)19-17-13-16(11-12-18(17)22(3)20(19)23)26(24,25)21-15-9-7-5-4-6-8-10-15/h11-13,15,21H,4-10H2,1-3H3.
What are the key properties of N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide?
N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide is sourced from PubChem (CID 50760091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).