N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide

C24H30N2O4S — CID 4943521

IUPACN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1
InChIInChI=1S/C24H30N2O4S/c1-5-16-26(17-6-2)31(28,29)21-13-11-20(12-14-21)25-24(27)22-9-7-8-10-23(22)30-18-15-19(3)4/h5-14,19H,1-2,15-18H2,3-4H3,(H,25,27)
InChIKeyIGWOVVVLUDWSJG-UHFFFAOYSA-N
MW442.58 g/mol
LogP4.73
Rot. Bonds12

About N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide (PubChem CID 4943521) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide
PubChem CID4943521
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1
InChIInChI=1S/C24H30N2O4S/c1-5-16-26(17-6-2)31(28,29)21-13-11-20(12-14-21)25-24(27)22-9-7-8-10-23(22)30-18-15-19(3)4/h5-14,19H,1-2,15-18H2,3-4H3,(H,25,27)
InChIKeyIGWOVVVLUDWSJG-UHFFFAOYSA-N
XLogP4.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-hexoxybenzamide
CID 4942095
N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926856
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945399
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
N-(4-benzamidophenyl)-2-(3-methylbutoxy)benzamide
CID 17235412
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978
N-[4-(dipropylsulfamoyl)phenyl]-2-propoxybenzamide
CID 4947970
2-(3-methylbutoxy)-N-[4-(propanoylamino)phenyl]benzamide
CID 17204895
N-(4-methoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 4943415
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-5-bromo-2-butoxybenzamide
CID 17350017
2-(3-methylbutoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086733
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350783

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide?
The IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide (CID 4943521) is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide?
The canonical SMILES for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2OCCC(C)C)cc1.
What is the InChIKey of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide?
The InChIKey is IGWOVVVLUDWSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-5-16-26(17-6-2)31(28,29)21-13-11-20(12-14-21)25-24(27)22-9-7-8-10-23(22)30-18-15-19(3)4/h5-14,19H,1-2,15-18H2,3-4H3,(H,25,27).
What are the key properties of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide?
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide has a molecular weight of 442.58 g/mol, XLogP of 4.73, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 4943521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).