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

C14H21N3O3S — CID 46386241

IUPAC1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCC(C)CNC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C14H21N3O3S/c1-10(2)9-15-14(18)16-12-5-4-11-6-7-17(13(11)8-12)21(3,19)20/h4-5,8,10H,6-7,9H2,1-3H3,(H2,15,16,18)
InChIKeyRXVCAJHMHUKMIF-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.79
Rot. Bonds4

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

1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea (PubChem CID 46386241) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
PubChem CID46386241
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCC(C)CNC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C14H21N3O3S/c1-10(2)9-15-14(18)16-12-5-4-11-6-7-17(13(11)8-12)21(3,19)20/h4-5,8,10H,6-7,9H2,1-3H3,(H2,15,16,18)
InChIKeyRXVCAJHMHUKMIF-UHFFFAOYSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The IUPAC name of 1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea (CID 46386241) is 1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The canonical SMILES for 1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea is CC(C)CNC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2.
What is the InChIKey of 1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The InChIKey is RXVCAJHMHUKMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10(2)9-15-14(18)16-12-5-4-11-6-7-17(13(11)8-12)21(3,19)20/h4-5,8,10H,6-7,9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea has a molecular weight of 311.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea is sourced from PubChem (CID 46386241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).