1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea

C19H23N3O4S — CID 46386152

IUPAC1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCCCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3cccc(OC)c3)cc21
InChIInChI=1S/C19H23N3O4S/c1-3-11-27(24,25)22-10-9-14-7-8-16(13-18(14)22)21-19(23)20-15-5-4-6-17(12-15)26-2/h4-8,12-13H,3,9-11H2,1-2H3,(H2,20,21,23)
InChIKeyZNCXCWJKIZIXAQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.44
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea

1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea (PubChem CID 46386152) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea
PubChem CID46386152
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCCCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3cccc(OC)c3)cc21
InChIInChI=1S/C19H23N3O4S/c1-3-11-27(24,25)22-10-9-14-7-8-16(13-18(14)22)21-19(23)20-15-5-4-6-17(12-15)26-2/h4-8,12-13H,3,9-11H2,1-2H3,(H2,20,21,23)
InChIKeyZNCXCWJKIZIXAQ-UHFFFAOYSA-N
XLogP3.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea (CID 46386152) is 1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea is CCCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3cccc(OC)c3)cc21.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea?
The InChIKey is ZNCXCWJKIZIXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-11-27(24,25)22-10-9-14-7-8-16(13-18(14)22)21-19(23)20-15-5-4-6-17(12-15)26-2/h4-8,12-13H,3,9-11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea?
1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea has a molecular weight of 389.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea is sourced from PubChem (CID 46386152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).