4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide

C21H27N3O5S — CID 123227789

IUPAC4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide
SMILESCCCCN1CCN(c2ccc(S(=O)(=O)Nc3cc(C)c(OC)c(O)c3)cc2)C1=O
InChIInChI=1S/C21H27N3O5S/c1-4-5-10-23-11-12-24(21(23)26)17-6-8-18(9-7-17)30(27,28)22-16-13-15(2)20(29-3)19(25)14-16/h6-9,13-14,22,25H,4-5,10-12H2,1-3H3
InChIKeyHWLRRWDJMCEPIN-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.55
Rot. Bonds8

About 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide

4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide (PubChem CID 123227789) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide
PubChem CID123227789
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide
SMILESCCCCN1CCN(c2ccc(S(=O)(=O)Nc3cc(C)c(OC)c(O)c3)cc2)C1=O
InChIInChI=1S/C21H27N3O5S/c1-4-5-10-23-11-12-24(21(23)26)17-6-8-18(9-7-17)30(27,28)22-16-13-15(2)20(29-3)19(25)14-16/h6-9,13-14,22,25H,4-5,10-12H2,1-3H3
InChIKeyHWLRRWDJMCEPIN-UHFFFAOYSA-N
XLogP3.55
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide (CID 123227789) is 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide is CCCCN1CCN(c2ccc(S(=O)(=O)Nc3cc(C)c(OC)c(O)c3)cc2)C1=O.
What is the InChIKey of 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide?
The InChIKey is HWLRRWDJMCEPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-4-5-10-23-11-12-24(21(23)26)17-6-8-18(9-7-17)30(27,28)22-16-13-15(2)20(29-3)19(25)14-16/h6-9,13-14,22,25H,4-5,10-12H2,1-3H3.
What are the key properties of 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide?
4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 123227789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).