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

C22H26N2O5S — CID 20911656

IUPAC1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CCC2)cc(OC)c1
InChIInChI=1S/C22H26N2O5S/c1-14-9-16-10-20(7-8-21(16)24(14)22(25)15-5-4-6-15)30(26,27)23-17-11-18(28-2)13-19(12-17)29-3/h7-8,10-15,23H,4-6,9H2,1-3H3
InChIKeyXDOXCJNQODPKQB-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.58
Rot. Bonds6

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

1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 20911656) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID20911656
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CCC2)cc(OC)c1
InChIInChI=1S/C22H26N2O5S/c1-14-9-16-10-20(7-8-21(16)24(14)22(25)15-5-4-6-15)30(26,27)23-17-11-18(28-2)13-19(12-17)29-3/h7-8,10-15,23H,4-6,9H2,1-3H3
InChIKeyXDOXCJNQODPKQB-UHFFFAOYSA-N
XLogP3.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361748
1-(cyclobutanecarbonyl)-N-(2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911710
1-(cyclopropanecarbonyl)-2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20901711
1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911661
1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911711
dimethyl 5-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzene-1,3-dicarboxylate
CID 131842012
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
1-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 20902090
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
2-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 20911772
1-(cyclopropanecarbonyl)-2-methyl-N-morpholin-4-yl-2,3-dihydroindole-5-sulfonamide
CID 6624196
(2S)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 99721827

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 20911656) is 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is COc1cc(NS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CCC2)cc(OC)c1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XDOXCJNQODPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-14-9-16-10-20(7-8-21(16)24(14)22(25)15-5-4-6-15)30(26,27)23-17-11-18(28-2)13-19(12-17)29-3/h7-8,10-15,23H,4-6,9H2,1-3H3.
What are the key properties of 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 430.53 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20911656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).