1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide

C21H24N2O4S — CID 15994355

IUPAC1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1
InChIInChI=1S/C21H24N2O4S/c1-22(17-6-8-18(27-2)9-7-17)28(25,26)19-10-11-20-16(14-19)12-13-23(20)21(24)15-4-3-5-15/h6-11,14-15H,3-5,12-13H2,1-2H3
InChIKeyYGTXVBVJWHLTGJ-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.21
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide

1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 15994355) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID15994355
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1
InChIInChI=1S/C21H24N2O4S/c1-22(17-6-8-18(27-2)9-7-17)28(25,26)19-10-11-20-16(14-19)12-13-23(20)21(24)15-4-3-5-15/h6-11,14-15H,3-5,12-13H2,1-2H3
InChIKeyYGTXVBVJWHLTGJ-UHFFFAOYSA-N
XLogP3.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375
cyclobutyl-[5-[1-(3-methoxyphenyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 71305140
N-butyl-1-(cyclobutanecarbonyl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 15999100
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361748
N,N-dimethyl-1-[(3R)-1-methylsulfonylpiperidine-3-carbonyl]-2,3-dihydroindole-5-sulfonamide
CID 95118968
N,N-diethyl-1-(piperidine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 119274837
1-(3-aminocyclohexanecarbonyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 119696140
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 20950660
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769945
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769517

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide (CID 15994355) is 1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is YGTXVBVJWHLTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-22(17-6-8-18(27-2)9-7-17)28(25,26)19-10-11-20-16(14-19)12-13-23(20)21(24)15-4-3-5-15/h6-11,14-15H,3-5,12-13H2,1-2H3.
What are the key properties of 1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 400.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15994355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).