N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide

C23H24N2O4S — CID 38579965

IUPACN-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide
SMILESCN(CCCOc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-25(17-8-18-29-21-11-6-3-7-12-21)23(26)19-13-15-22(16-14-19)30(27,28)24-20-9-4-2-5-10-20/h2-7,9-16,24H,8,17-18H2,1H3
InChIKeyHAHHESZVBLRMOB-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.03
Rot. Bonds9

About N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide

N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide (PubChem CID 38579965) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide
PubChem CID38579965
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide
SMILESCN(CCCOc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4S/c1-25(17-8-18-29-21-11-6-3-7-12-21)23(26)19-13-15-22(16-14-19)30(27,28)24-20-9-4-2-5-10-20/h2-7,9-16,24H,8,17-18H2,1H3
InChIKeyHAHHESZVBLRMOB-UHFFFAOYSA-N
XLogP4.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.03
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

N-methyl-N-(3-phenoxypropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 38580276
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
N-[2-(3,5-dimethylphenoxy)ethyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24517392
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 24516626
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide
CID 109061458
4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 2555092
4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960788
N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061451
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26979981
N-[2-(4-chlorophenoxy)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26622481

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide (CID 38579965) is N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide is CN(CCCOc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide?
The InChIKey is HAHHESZVBLRMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-25(17-8-18-29-21-11-6-3-7-12-21)23(26)19-13-15-22(16-14-19)30(27,28)24-20-9-4-2-5-10-20/h2-7,9-16,24H,8,17-18H2,1H3.
What are the key properties of N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide?
N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide has a molecular weight of 424.52 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 38579965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).