1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea

C18H26N2O3S — CID 102483434

IUPAC1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea
SMILESC=CCCC1(CNC(=O)NS(=O)(=O)c2ccc(C)cc2)CCCC1
InChIInChI=1S/C18H26N2O3S/c1-3-4-11-18(12-5-6-13-18)14-19-17(21)20-24(22,23)16-9-7-15(2)8-10-16/h3,7-10H,1,4-6,11-14H2,2H3,(H2,19,20,21)
InChIKeyFTQXUJWVCSYBKX-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.51
Rot. Bonds7

About 1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea

1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 102483434) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID102483434
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea
SMILESC=CCCC1(CNC(=O)NS(=O)(=O)c2ccc(C)cc2)CCCC1
InChIInChI=1S/C18H26N2O3S/c1-3-4-11-18(12-5-6-13-18)14-19-17(21)20-24(22,23)16-9-7-15(2)8-10-16/h3,7-10H,1,4-6,11-14H2,2H3,(H2,19,20,21)
InChIKeyFTQXUJWVCSYBKX-UHFFFAOYSA-N
XLogP3.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-[[5-[[(4-methylphenyl)sulfonylcarbamoylamino]methyl]furan-2-yl]methyl]urea
CID 19387723
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-(4-methylphenyl)sulfonyl-3-tetradecylurea
CID 21459633
ethyl 2-[(4-methylphenyl)sulfonylcarbamoylamino]acetate
CID 95561819
1-(4-methylphenyl)sulfonyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 110747288
N-(4-methylphenyl)sulfonyl-2-pent-4-enylcyclopentane-1-carboxamide
CID 177217614
1-(1,5-dioxaspiro[5.5]undecan-11-yl)-3-(4-methylphenyl)sulfonylurea
CID 134115577
1-[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 916360
3-(4-methylphenyl)sulfonyl-1,1-bis(prop-2-enyl)urea
CID 4628428
S-prop-2-enyl N-(4-methylphenyl)sulfonylcarbamothioate
CID 88768451
1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
CID 23275206
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 109469308

Frequently Asked Questions

What is the IUPAC name of 1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea (CID 102483434) is 1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea is C=CCCC1(CNC(=O)NS(=O)(=O)c2ccc(C)cc2)CCCC1.
What is the InChIKey of 1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is FTQXUJWVCSYBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-3-4-11-18(12-5-6-13-18)14-19-17(21)20-24(22,23)16-9-7-15(2)8-10-16/h3,7-10H,1,4-6,11-14H2,2H3,(H2,19,20,21).
What are the key properties of 1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea?
1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 350.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-but-3-enylcyclopentyl)methyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 102483434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).