3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide

C26H29N3O4S — CID 4881999

IUPAC3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(C)C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C26H29N3O4S/c1-4-29(21-11-6-5-7-12-21)34(31,32)22-14-15-25(33-3)23(18-22)27-19(2)26(30)28-17-16-20-10-8-9-13-24(20)28/h5-15,18-19,27H,4,16-17H2,1-3H3
InChIKeyIWUKQUDICFURAV-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.30
Rot. Bonds8

About 3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide

3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide (PubChem CID 4881999) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide
PubChem CID4881999
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(C)C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C26H29N3O4S/c1-4-29(21-11-6-5-7-12-21)34(31,32)22-14-15-25(33-3)23(18-22)27-19(2)26(30)28-17-16-20-10-8-9-13-24(20)28/h5-15,18-19,27H,4,16-17H2,1-3H3
InChIKeyIWUKQUDICFURAV-UHFFFAOYSA-N
XLogP4.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2,3-dihydroindol-1-yl)-2-(4-methoxy-3-methylanilino)propan-1-one
CID 87033332
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 16556968
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,5-dimethoxyphenyl)urea
CID 46383430
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 46383419
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 92881442
1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea
CID 4553215
(3S)-1-cyclopropyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 26008131
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]naphthalene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide?
The IUPAC name of 3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide (CID 4881999) is 3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(C)C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide?
The InChIKey is IWUKQUDICFURAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-4-29(21-11-6-5-7-12-21)34(31,32)22-14-15-25(33-3)23(18-22)27-19(2)26(30)28-17-16-20-10-8-9-13-24(20)28/h5-15,18-19,27H,4,16-17H2,1-3H3.
What are the key properties of 3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide?
3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide has a molecular weight of 479.60 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-N-ethyl-4-methoxy-N-phenylbenzenesulfonamide is sourced from PubChem (CID 4881999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).