1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea

C18H20N2O3S — CID 14763088

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20N2O3S/c21-18(19-12-11-14-5-2-1-3-6-14)20-24(22,23)17-10-9-15-7-4-8-16(15)13-17/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H2,19,20,21)
InChIKeyAWHMJHDPHLGWDO-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.41
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea (PubChem CID 14763088) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea
PubChem CID14763088
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20N2O3S/c21-18(19-12-11-14-5-2-1-3-6-14)20-24(22,23)17-10-9-15-7-4-8-16(15)13-17/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H2,19,20,21)
InChIKeyAWHMJHDPHLGWDO-UHFFFAOYSA-N
XLogP2.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea (CID 14763088) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea?
The InChIKey is AWHMJHDPHLGWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-18(19-12-11-14-5-2-1-3-6-14)20-24(22,23)17-10-9-15-7-4-8-16(15)13-17/h1-3,5-6,9-10,13H,4,7-8,11-12H2,(H2,19,20,21).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea has a molecular weight of 344.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 14763088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).