1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea

C15H24N2O4S — CID 3052663

IUPAC1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea
SMILESCCCCNC(=O)NS(=O)(=O)c1ccc(OC(C)C)cc1C
InChIInChI=1S/C15H24N2O4S/c1-5-6-9-16-15(18)17-22(19,20)14-8-7-13(10-12(14)4)21-11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H2,16,17,18)
InChIKeyGGKSRCUUNDSVGF-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.57
Rot. Bonds7

About 1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea

1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea (PubChem CID 3052663) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea.

Molecular Properties

Compound Name1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea
PubChem CID3052663
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea
SMILESCCCCNC(=O)NS(=O)(=O)c1ccc(OC(C)C)cc1C
InChIInChI=1S/C15H24N2O4S/c1-5-6-9-16-15(18)17-22(19,20)14-8-7-13(10-12(14)4)21-11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H2,16,17,18)
InChIKeyGGKSRCUUNDSVGF-UHFFFAOYSA-N
XLogP2.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea?
The IUPAC name of 1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea (CID 3052663) is 1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea.
What is the SMILES notation for 1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea?
The canonical SMILES for 1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea is CCCCNC(=O)NS(=O)(=O)c1ccc(OC(C)C)cc1C.
What is the InChIKey of 1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea?
The InChIKey is GGKSRCUUNDSVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-6-9-16-15(18)17-22(19,20)14-8-7-13(10-12(14)4)21-11(2)3/h7-8,10-11H,5-6,9H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea?
1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea has a molecular weight of 328.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methyl-4-propan-2-yloxyphenyl)sulfonylurea is sourced from PubChem (CID 3052663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).