4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

C22H29N3O6S — CID 71532310

IUPAC4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCCCCN1CCN(c2ccc(S(=O)(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2)C1=O
InChIInChI=1S/C22H29N3O6S/c1-5-6-11-24-12-13-25(22(24)26)17-7-9-18(10-8-17)32(27,28)23-16-14-19(29-2)21(31-4)20(15-16)30-3/h7-10,14-15,23H,5-6,11-13H2,1-4H3
InChIKeyJDBOGILEKJNQDT-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.56
Rot. Bonds10

About 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (PubChem CID 71532310) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
PubChem CID71532310
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCCCCN1CCN(c2ccc(S(=O)(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2)C1=O
InChIInChI=1S/C22H29N3O6S/c1-5-6-11-24-12-13-25(22(24)26)17-7-9-18(10-8-17)32(27,28)23-16-14-19(29-2)21(31-4)20(15-16)30-3/h7-10,14-15,23H,5-6,11-13H2,1-4H3
InChIKeyJDBOGILEKJNQDT-UHFFFAOYSA-N
XLogP3.56
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (CID 71532310) is 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is CCCCN1CCN(c2ccc(S(=O)(=O)Nc3cc(OC)c(OC)c(OC)c3)cc2)C1=O.
What is the InChIKey of 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The InChIKey is JDBOGILEKJNQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-5-6-11-24-12-13-25(22(24)26)17-7-9-18(10-8-17)32(27,28)23-16-14-19(29-2)21(31-4)20(15-16)30-3/h7-10,14-15,23H,5-6,11-13H2,1-4H3.
What are the key properties of 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide has a molecular weight of 463.56 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 71532310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).