1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea

C17H25N3O3S — CID 46386123

IUPAC1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCCS(=O)(=O)N1CCc2ccc(NC(=O)NC3CCCCC3)cc21
InChIInChI=1S/C17H25N3O3S/c1-2-24(22,23)20-11-10-13-8-9-15(12-16(13)20)19-17(21)18-14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H2,18,19,21)
InChIKeyAMKZWSHCBLOPKN-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.85
Rot. Bonds4

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

1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea (PubChem CID 46386123) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea
PubChem CID46386123
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCCS(=O)(=O)N1CCc2ccc(NC(=O)NC3CCCCC3)cc21
InChIInChI=1S/C17H25N3O3S/c1-2-24(22,23)20-11-10-13-8-9-15(12-16(13)20)19-17(21)18-14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H2,18,19,21)
InChIKeyAMKZWSHCBLOPKN-UHFFFAOYSA-N
XLogP2.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea (CID 46386123) is 1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea is CCS(=O)(=O)N1CCc2ccc(NC(=O)NC3CCCCC3)cc21.
What is the InChIKey of 1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea?
The InChIKey is AMKZWSHCBLOPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-2-24(22,23)20-11-10-13-8-9-15(12-16(13)20)19-17(21)18-14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea?
1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea has a molecular weight of 351.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea is sourced from PubChem (CID 46386123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).