N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide

C18H22N2O4S — CID 46823749

IUPACN-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)CC(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(15-7-5-4-6-8-15)13-18(21)19-16-9-11-17(12-10-16)25(22,23)20(2)24-3/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyFZCZVSPRKSDUCK-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.00
Rot. Bonds7

About N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide

N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide (PubChem CID 46823749) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide
PubChem CID46823749
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)CC(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(15-7-5-4-6-8-15)13-18(21)19-16-9-11-17(12-10-16)25(22,23)20(2)24-3/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyFZCZVSPRKSDUCK-UHFFFAOYSA-N
XLogP3.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-phenylbutanamide
CID 43007936
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
N-(4-cyclopentylsulfonylphenyl)-3-phenylbutanamide
CID 42957046
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55389585
3-[4-[methoxy(methyl)sulfamoyl]phenyl]-1,1-bis(2-methylpropyl)urea
CID 51118606
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 30041609
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
CID 110622812
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275
2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722

Frequently Asked Questions

What is the IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide?
The IUPAC name of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide (CID 46823749) is N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide.
What is the SMILES notation for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide?
The canonical SMILES for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide is CON(C)S(=O)(=O)c1ccc(NC(=O)CC(C)c2ccccc2)cc1.
What is the InChIKey of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide?
The InChIKey is FZCZVSPRKSDUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(15-7-5-4-6-8-15)13-18(21)19-16-9-11-17(12-10-16)25(22,23)20(2)24-3/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide?
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide has a molecular weight of 362.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methoxy(methyl)sulfamoyl]phenyl]-3-phenylbutanamide is sourced from PubChem (CID 46823749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).