1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide

C22H26N2O5S — CID 15996803

IUPAC1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C22H26N2O5S/c1-3-28-17-7-10-21(29-4-2)19(14-17)23-30(26,27)18-8-9-20-16(13-18)11-12-24(20)22(25)15-5-6-15/h7-10,13-15,23H,3-6,11-12H2,1-2H3
InChIKeyQJPMXPFRMFYJHJ-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.58
Rot. Bonds8

About 1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 15996803) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID15996803
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C22H26N2O5S/c1-3-28-17-7-10-21(29-4-2)19(14-17)23-30(26,27)18-8-9-20-16(13-18)11-12-24(20)22(25)15-5-6-15/h7-10,13-15,23H,3-6,11-12H2,1-2H3
InChIKeyQJPMXPFRMFYJHJ-UHFFFAOYSA-N
XLogP3.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

5-bromo-1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505036
1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911711
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 46361256
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,5-diethoxyphenyl)propanamide
CID 46253995
5-[(2-ethoxyphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058945
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
methyl 4-chloro-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 100506055
N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807478
1-(cyclobutanecarbonyl)-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361770
1-(cyclopropanecarbonyl)-N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100555023
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 100561594

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide (CID 15996803) is 1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is QJPMXPFRMFYJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-3-28-17-7-10-21(29-4-2)19(14-17)23-30(26,27)18-8-9-20-16(13-18)11-12-24(20)22(25)15-5-6-15/h7-10,13-15,23H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 430.53 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15996803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).