N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide

C19H24N2O4S — CID 9107112

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CCCOc2ccc(C)cc2)ccc1C
InChIInChI=1S/C19H24N2O4S/c1-14-6-10-17(11-7-14)25-12-4-5-19(22)21-16-9-8-15(2)18(13-16)26(23,24)20-3/h6-11,13,20H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyCBKWNQAWIUEEFE-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.01
Rot. Bonds8

About N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide (PubChem CID 9107112) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
PubChem CID9107112
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CCCOc2ccc(C)cc2)ccc1C
InChIInChI=1S/C19H24N2O4S/c1-14-6-10-17(11-7-14)25-12-4-5-19(22)21-16-9-8-15(2)18(13-16)26(23,24)20-3/h6-11,13,20H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyCBKWNQAWIUEEFE-UHFFFAOYSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 9219673
3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140975
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
4-(2,5-dimethylphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 9107182
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510085
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 8578282
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
4-amino-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]butanamide;hydrochloride
CID 119264847
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide (CID 9107112) is N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide is CNS(=O)(=O)c1cc(NC(=O)CCCOc2ccc(C)cc2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide?
The InChIKey is CBKWNQAWIUEEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-6-10-17(11-7-14)25-12-4-5-19(22)21-16-9-8-15(2)18(13-16)26(23,24)20-3/h6-11,13,20H,4-5,12H2,1-3H3,(H,21,22).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide has a molecular weight of 376.48 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 9107112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).