N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide

C18H22N2O4S — CID 9141472

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CCCOc2ccccc2)c1C
InChIInChI=1S/C18H22N2O4S/c1-13-11-16(25(19,22)23)12-17(14(13)2)20-18(21)9-6-10-24-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyVMNSIAJZXHPNBG-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.75
Rot. Bonds7

About N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide (PubChem CID 9141472) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide
PubChem CID9141472
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CCCOc2ccccc2)c1C
InChIInChI=1S/C18H22N2O4S/c1-13-11-16(25(19,22)23)12-17(14(13)2)20-18(21)9-6-10-24-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyVMNSIAJZXHPNBG-UHFFFAOYSA-N
XLogP2.75
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.75
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-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596379
2-(4-bromophenoxy)-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141449
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(1H-indol-3-yl)butanamide
CID 55363866
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
methyl 4-methyl-3-(4-phenoxybutanoylamino)benzoate
CID 2673216
4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide
CID 9257617
N-[2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-phenoxybutanamide
CID 5022343
N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide
CID 131947688
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
CID 62098253

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide (CID 9141472) is N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)CCCOc2ccccc2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide?
The InChIKey is VMNSIAJZXHPNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-11-16(25(19,22)23)12-17(14(13)2)20-18(21)9-6-10-24-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide has a molecular weight of 362.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide is sourced from PubChem (CID 9141472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).