1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea

C18H24N2O3S — CID 173234081

IUPAC1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCC1=C(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)C=CCC1C
InChIInChI=1S/C18H24N2O3S/c1-13-7-9-17(10-8-13)24(22,23)20-18(21)19-12-11-16-6-4-5-14(2)15(16)3/h4,6-10,14H,5,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyZXWUSZYWALPSIU-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.29
Rot. Bonds5

About 1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea

1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 173234081) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID173234081
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCC1=C(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)C=CCC1C
InChIInChI=1S/C18H24N2O3S/c1-13-7-9-17(10-8-13)24(22,23)20-18(21)19-12-11-16-6-4-5-14(2)15(16)3/h4,6-10,14H,5,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyZXWUSZYWALPSIU-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110369965
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-(4-methylphenyl)sulfonyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]urea
CID 110747836
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
1-(4-methylphenyl)sulfonyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747701
1-(4-methylphenyl)sulfonyl-3-[2-(1-methylpyrrol-3-yl)ethyl]urea
CID 110775896
1-[2-(2-methoxyphenyl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110754998
1-(4-methylphenyl)sulfonyl-3-[2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]urea
CID 110401573
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea
CID 174454589
1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
CID 19387723
1-[2-[4-(4-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
CID 67245194

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea (CID 173234081) is 1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea is CC1=C(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)C=CCC1C.
What is the InChIKey of 1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is ZXWUSZYWALPSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-7-9-17(10-8-13)24(22,23)20-18(21)19-12-11-16-6-4-5-14(2)15(16)3/h4,6-10,14H,5,11-12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea?
1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 348.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylcyclohexa-1,5-dien-1-yl)ethyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 173234081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).