1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea

C17H27N3O3S — CID 110623674

IUPAC1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea
SMILESCCCCS(=O)(=O)N1CCc2ccc(NC(=O)NCC(C)C)cc21
InChIInChI=1S/C17H27N3O3S/c1-4-5-10-24(22,23)20-9-8-14-6-7-15(11-16(14)20)19-17(21)18-12-13(2)3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H2,18,19,21)
InChIKeyDVRQTRXJOBQTLV-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.96
Rot. Bonds7

About 1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea

1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea (PubChem CID 110623674) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea
PubChem CID110623674
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea
SMILESCCCCS(=O)(=O)N1CCc2ccc(NC(=O)NCC(C)C)cc21
InChIInChI=1S/C17H27N3O3S/c1-4-5-10-24(22,23)20-9-8-14-6-7-15(11-16(14)20)19-17(21)18-12-13(2)3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H2,18,19,21)
InChIKeyDVRQTRXJOBQTLV-UHFFFAOYSA-N
XLogP2.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386241
N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide
CID 112506348
1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386113
1-(2-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386154
1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-methylsulfanylphenyl)urea
CID 46386100
2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27636751
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
1-propylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382378
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
CID 20963022
1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386236
N-(1-butyl-2,3-dihydroindol-6-yl)-2-propylsulfonylacetamide
CID 71918240

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea (CID 110623674) is 1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea is CCCCS(=O)(=O)N1CCc2ccc(NC(=O)NCC(C)C)cc21.
What is the InChIKey of 1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea?
The InChIKey is DVRQTRXJOBQTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-4-5-10-24(22,23)20-9-8-14-6-7-15(11-16(14)20)19-17(21)18-12-13(2)3/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea?
1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea has a molecular weight of 353.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 110623674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).