1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea

C14H21N3O3S — CID 46386097

IUPAC1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CC)CC2
InChIInChI=1S/C14H21N3O3S/c1-3-8-15-14(18)16-12-6-5-11-7-9-17(13(11)10-12)21(19,20)4-2/h5-6,10H,3-4,7-9H2,1-2H3,(H2,15,16,18)
InChIKeyLFKZQOIJSBHANR-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.93
Rot. Bonds5

About 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea

1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea (PubChem CID 46386097) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea.

Molecular Properties

Compound Name1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea
PubChem CID46386097
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CC)CC2
InChIInChI=1S/C14H21N3O3S/c1-3-8-15-14(18)16-12-6-5-11-7-9-17(13(11)10-12)21(19,20)4-2/h5-6,10H,3-4,7-9H2,1-2H3,(H2,15,16,18)
InChIKeyLFKZQOIJSBHANR-UHFFFAOYSA-N
XLogP1.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea?
The IUPAC name of 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea (CID 46386097) is 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea.
What is the SMILES notation for 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea?
The canonical SMILES for 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea is CCCNC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CC)CC2.
What is the InChIKey of 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea?
The InChIKey is LFKZQOIJSBHANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-8-15-14(18)16-12-6-5-11-7-9-17(13(11)10-12)21(19,20)4-2/h5-6,10H,3-4,7-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea?
1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea has a molecular weight of 311.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-propylurea is sourced from PubChem (CID 46386097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).