1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea

C19H18N2O3S — CID 14763090

IUPAC1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O3S/c22-19(20-13-12-15-6-2-1-3-7-15)21-25(23,24)18-11-10-16-8-4-5-9-17(16)14-18/h1-11,14H,12-13H2,(H2,20,21,22)
InChIKeyQNMZEAYIPGTANT-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.07
Rot. Bonds5

About 1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea

1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea (PubChem CID 14763090) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea
PubChem CID14763090
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H18N2O3S/c22-19(20-13-12-15-6-2-1-3-7-15)21-25(23,24)18-11-10-16-8-4-5-9-17(16)14-18/h1-11,14H,12-13H2,(H2,20,21,22)
InChIKeyQNMZEAYIPGTANT-UHFFFAOYSA-N
XLogP3.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea (CID 14763090) is 1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea?
The InChIKey is QNMZEAYIPGTANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-19(20-13-12-15-6-2-1-3-7-15)21-25(23,24)18-11-10-16-8-4-5-9-17(16)14-18/h1-11,14H,12-13H2,(H2,20,21,22).
What are the key properties of 1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea?
1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea has a molecular weight of 354.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-3-(2-phenylethyl)urea is sourced from PubChem (CID 14763090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).