1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea

C15H20N4O3S — CID 10427126

IUPAC1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cnc(C(C)C)n2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-10(2)14-16-9-13(19(14)4)17-15(20)18-23(21,22)12-7-5-11(3)6-8-12/h5-10H,1-4H3,(H2,17,18,20)
InChIKeyVFIZLWDGQXCMLK-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea

1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea (PubChem CID 10427126) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea
PubChem CID10427126
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cnc(C(C)C)n2C)cc1
InChIInChI=1S/C15H20N4O3S/c1-10(2)14-16-9-13(19(14)4)17-15(20)18-23(21,22)12-7-5-11(3)6-8-12/h5-10H,1-4H3,(H2,17,18,20)
InChIKeyVFIZLWDGQXCMLK-UHFFFAOYSA-N
XLogP2.36
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dimethyl-6-oxopyrimidin-2-yl)-3-(4-methylphenyl)sulfonylurea
CID 110191765
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-[5-cyano-3-(4-methylphenyl)imidazol-4-yl]-3-(4-methylphenyl)sulfonylurea
CID 10620700
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid
CID 36691003
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
CID 2740796
1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea
CID 78269792
1-[2-methyl-4-[3-methyl-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 4151875
1-(4-methylphenyl)sulfonyl-3-pyrrolidin-1-ylurea
CID 23275206
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137
4-methyl-N-oxidobenzenesulfonamide
CID 141387140

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea (CID 10427126) is 1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea is Cc1ccc(S(=O)(=O)NC(=O)Nc2cnc(C(C)C)n2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea?
The InChIKey is VFIZLWDGQXCMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10(2)14-16-9-13(19(14)4)17-15(20)18-23(21,22)12-7-5-11(3)6-8-12/h5-10H,1-4H3,(H2,17,18,20).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea?
1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea has a molecular weight of 336.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-(3-methyl-2-propan-2-ylimidazol-4-yl)urea is sourced from PubChem (CID 10427126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).