1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea

C19H22N2O3S — CID 59052048

IUPAC1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea
SMILESC=C(CCCNC(=O)NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-15-10-12-18(13-11-15)25(23,24)21-19(22)20-14-6-7-16(2)17-8-4-3-5-9-17/h3-5,8-13H,2,6-7,14H2,1H3,(H2,20,21,22)
InChIKeyGIUJDHVCUNMZQU-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.48
Rot. Bonds7

About 1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea

1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea (PubChem CID 59052048) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea
PubChem CID59052048
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea
SMILESC=C(CCCNC(=O)NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-15-10-12-18(13-11-15)25(23,24)21-19(22)20-14-6-7-16(2)17-8-4-3-5-9-17/h3-5,8-13H,2,6-7,14H2,1H3,(H2,20,21,22)
InChIKeyGIUJDHVCUNMZQU-UHFFFAOYSA-N
XLogP3.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
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1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
N-(4-phenylpent-4-enyl)acetamide
CID 10798197
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
3-[3-[(4-methylphenyl)sulfonylamino]propylcarbamoylamino]propanoic acid
CID 131908004
[2-[(4-methylphenyl)sulfonylcarbamoylamino]-1-phenylethyl] N-(4-methylphenyl)sulfonylcarbamate
CID 2813116

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea (CID 59052048) is 1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea is C=C(CCCNC(=O)NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea?
The InChIKey is GIUJDHVCUNMZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-10-12-18(13-11-15)25(23,24)21-19(22)20-14-6-7-16(2)17-8-4-3-5-9-17/h3-5,8-13H,2,6-7,14H2,1H3,(H2,20,21,22).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea?
1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea has a molecular weight of 358.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea is sourced from PubChem (CID 59052048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).