1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea

C25H24FN3O3S — CID 16918109

IUPAC1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea
SMILESCc1c(S(=O)(=O)CCNC(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C25H24FN3O3S/c1-18-24(20-11-5-8-14-23(20)29(18)17-19-9-3-2-4-10-19)33(31,32)16-15-27-25(30)28-22-13-7-6-12-21(22)26/h2-14H,15-17H2,1H3,(H2,27,28,30)
InChIKeyQUMNULMURFETEA-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.73
Rot. Bonds7

About 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea

1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea (PubChem CID 16918109) has the molecular formula C25H24FN3O3S and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea
PubChem CID16918109
Molecular FormulaC25H24FN3O3S
Molecular Weight465.55 g/mol
Exact Mass465.15
IUPAC Name1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea
SMILESCc1c(S(=O)(=O)CCNC(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C25H24FN3O3S/c1-18-24(20-11-5-8-14-23(20)29(18)17-19-9-3-2-4-10-19)33(31,32)16-15-27-25(30)28-22-13-7-6-12-21(22)26/h2-14H,15-17H2,1H3,(H2,27,28,30)
InChIKeyQUMNULMURFETEA-UHFFFAOYSA-N
XLogP4.73
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea (CID 16918109) is 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea is Cc1c(S(=O)(=O)CCNC(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea?
The InChIKey is QUMNULMURFETEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S/c1-18-24(20-11-5-8-14-23(20)29(18)17-19-9-3-2-4-10-19)33(31,32)16-15-27-25(30)28-22-13-7-6-12-21(22)26/h2-14H,15-17H2,1H3,(H2,27,28,30).
What are the key properties of 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea?
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea has a molecular weight of 465.55 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 16918109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).