N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide

C25H32N2O4S — CID 17046295

IUPACN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H32N2O4S/c1-7-17-27(18-8-2)32(29,30)23-15-11-21(12-16-23)26-24(28)19(3)31-22-13-9-20(10-14-22)25(4,5)6/h7-16,19H,1-2,17-18H2,3-6H3,(H,26,28)
InChIKeyLXUQDPZEUNUUML-UHFFFAOYSA-N
MW456.61 g/mol
LogP4.75
Rot. Bonds10

About N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide (PubChem CID 17046295) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
PubChem CID17046295
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H32N2O4S/c1-7-17-27(18-8-2)32(29,30)23-15-11-21(12-16-23)26-24(28)19(3)31-22-13-9-20(10-14-22)25(4,5)6/h7-16,19H,1-2,17-18H2,3-6H3,(H,26,28)
InChIKeyLXUQDPZEUNUUML-UHFFFAOYSA-N
XLogP4.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 54.75
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

(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 26075067
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046233
N-[4-(dipropylsulfamoyl)phenyl]-2-(4-phenylphenoxy)propanamide
CID 4951795
2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2938093
(2R)-2-(4-tert-butylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1304516
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
2-(4-tert-butylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 21367163
N-[4-(dipropylsulfamoyl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953686
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046270
(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 26075032
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 40768898

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide?
The IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide (CID 17046295) is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide.
What is the SMILES notation for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide?
The canonical SMILES for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide is C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide?
The InChIKey is LXUQDPZEUNUUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-7-17-27(18-8-2)32(29,30)23-15-11-21(12-16-23)26-24(28)19(3)31-22-13-9-20(10-14-22)25(4,5)6/h7-16,19H,1-2,17-18H2,3-6H3,(H,26,28).
What are the key properties of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide?
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide has a molecular weight of 456.61 g/mol, XLogP of 4.75, 10 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-(4-tert-butylphenoxy)propanamide is sourced from PubChem (CID 17046295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).