N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide

C27H32N2O4S — CID 17046233

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C27H32N2O4S/c1-20(33-24-15-11-22(12-16-24)27(2,3)4)26(30)28-23-13-17-25(18-14-23)34(31,32)29(5)19-21-9-7-6-8-10-21/h6-18,20H,19H2,1-5H3,(H,28,30)
InChIKeyKVYYYEHVZNUPHR-UHFFFAOYSA-N
MW480.63 g/mol
LogP5.21
Rot. Bonds8

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide (PubChem CID 17046233) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
PubChem CID17046233
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C27H32N2O4S/c1-20(33-24-15-11-22(12-16-24)27(2,3)4)26(30)28-23-13-17-25(18-14-23)34(31,32)29(5)19-21-9-7-6-8-10-21/h6-18,20H,19H2,1-5H3,(H,28,30)
InChIKeyKVYYYEHVZNUPHR-UHFFFAOYSA-N
XLogP5.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2238568
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046295
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
2-(4-ethylphenoxy)-N-[4-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 4953352
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
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
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 38963229
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(carbamoylamino)-3-methylbutanamide
CID 42905378
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942716
2-(4-ethylphenoxy)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]propanamide
CID 4953267
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 1259482

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide (CID 17046233) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide?
The InChIKey is KVYYYEHVZNUPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-20(33-24-15-11-22(12-16-24)27(2,3)4)26(30)28-23-13-17-25(18-14-23)34(31,32)29(5)19-21-9-7-6-8-10-21/h6-18,20H,19H2,1-5H3,(H,28,30).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide has a molecular weight of 480.63 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide is sourced from PubChem (CID 17046233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).