N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide

C21H28N2O4S — CID 38963229

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-17(2)16-27-14-13-21(24)22-19-9-11-20(12-10-19)28(25,26)23(3)15-18-7-5-4-6-8-18/h4-12,17H,13-16H2,1-3H3,(H,22,24)
InChIKeyVIFFYFOMTASPRD-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.51
Rot. Bonds10

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide (PubChem CID 38963229) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
PubChem CID38963229
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-17(2)16-27-14-13-21(24)22-19-9-11-20(12-10-19)28(25,26)23(3)15-18-7-5-4-6-8-18/h4-12,17H,13-16H2,1-3H3,(H,22,24)
InChIKeyVIFFYFOMTASPRD-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
3-phenylpropyl 4-[4-[benzyl(methyl)sulfamoyl]anilino]-4-oxobutanoate
CID 4934226
(2S)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2238568
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257534
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192752
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046233
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 3318426
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(2-methylpropoxy)propanamide
CID 55778329
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 3921360
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126309888

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide (CID 38963229) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide?
The InChIKey is VIFFYFOMTASPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-17(2)16-27-14-13-21(24)22-19-9-11-20(12-10-19)28(25,26)23(3)15-18-7-5-4-6-8-18/h4-12,17H,13-16H2,1-3H3,(H,22,24).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.51, 10 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]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 38963229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).