1-benzylsulfonyl-3-(2-phenoxyethyl)urea

C16H18N2O4S — CID 22715531

IUPAC1-benzylsulfonyl-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H18N2O4S/c19-16(17-11-12-22-15-9-5-2-6-10-15)18-23(20,21)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,17,18,19)
InChIKeyKJZFCFXVRLJUQS-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.89
Rot. Bonds7

About 1-benzylsulfonyl-3-(2-phenoxyethyl)urea

1-benzylsulfonyl-3-(2-phenoxyethyl)urea (PubChem CID 22715531) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-benzylsulfonyl-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-benzylsulfonyl-3-(2-phenoxyethyl)urea
PubChem CID22715531
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name1-benzylsulfonyl-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H18N2O4S/c19-16(17-11-12-22-15-9-5-2-6-10-15)18-23(20,21)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,17,18,19)
InChIKeyKJZFCFXVRLJUQS-UHFFFAOYSA-N
XLogP1.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
1-benzylsulfonyl-3-phenylurea
CID 22715536
2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
CID 30349604
2-benzylsulfonyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 86923044
methyl 2-(2-phenoxyethylcarbamoylamino)acetate
CID 108887152
1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 55685731
1-(1-hydroxybutan-2-yl)-3-(2-phenoxyethyl)urea
CID 75816995
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-benzylsulfonyl-3-(2-phenoxyethyl)urea (CID 22715531) is 1-benzylsulfonyl-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-benzylsulfonyl-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-benzylsulfonyl-3-(2-phenoxyethyl)urea is O=C(NCCOc1ccccc1)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-benzylsulfonyl-3-(2-phenoxyethyl)urea?
The InChIKey is KJZFCFXVRLJUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c19-16(17-11-12-22-15-9-5-2-6-10-15)18-23(20,21)13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H2,17,18,19).
What are the key properties of 1-benzylsulfonyl-3-(2-phenoxyethyl)urea?
1-benzylsulfonyl-3-(2-phenoxyethyl)urea has a molecular weight of 334.40 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 22715531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).