1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea

C18H22N2O3S — CID 3515825

IUPAC1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCCCCc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-4-5-15-8-10-16(11-9-15)19-18(21)20-24(22,23)17-12-6-14(2)7-13-17/h6-13H,3-5H2,1-2H3,(H2,19,20,21)
InChIKeyAXWDTWXIICRRET-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.85
Rot. Bonds6

About 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea

1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 3515825) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID3515825
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCCCCc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-4-5-15-8-10-16(11-9-15)19-18(21)20-24(22,23)17-12-6-14(2)7-13-17/h6-13H,3-5H2,1-2H3,(H2,19,20,21)
InChIKeyAXWDTWXIICRRET-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2954412
1-(4-methylphenyl)sulfonyl-3-(4-octadecanoylphenyl)urea
CID 21459629
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
1-[4-[[2,4-bis[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]methyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 19607119
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405718

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea (CID 3515825) is 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea is CCCCc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is AXWDTWXIICRRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-4-5-15-8-10-16(11-9-15)19-18(21)20-24(22,23)17-12-6-14(2)7-13-17/h6-13H,3-5H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea?
1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 346.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 3515825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).