N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide

C23H23N3O4S — CID 4795824

IUPACN-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccccc2)c1
InChIInChI=1S/C23H23N3O4S/c1-26(20-12-6-3-7-13-20)31(29,30)21-14-8-11-19(17-21)25-22(27)15-16-24-23(28)18-9-4-2-5-10-18/h2-14,17H,15-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyDHVBIKBUQVDUFD-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.27
Rot. Bonds8

About N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide

N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide (PubChem CID 4795824) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
PubChem CID4795824
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccccc2)c1
InChIInChI=1S/C23H23N3O4S/c1-26(20-12-6-3-7-13-20)31(29,30)21-14-8-11-19(17-21)25-22(27)15-16-24-23(28)18-9-4-2-5-10-18/h2-14,17H,15-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyDHVBIKBUQVDUFD-UHFFFAOYSA-N
XLogP3.27
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
2,2'-Dithiobis-(N-(4-sulfamoylphenyl)-benzamide)
CID 375084
N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
USP30 inhibitor 18
CID 142474792
N,N-Dimethyl-2-aminosulfonyl-4-formamidobenzamide
CID 15240549
4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide
CID 10383098
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide
CID 3241048

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide (CID 4795824) is N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCNC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
The InChIKey is DHVBIKBUQVDUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-26(20-12-6-3-7-13-20)31(29,30)21-14-8-11-19(17-21)25-22(27)15-16-24-23(28)18-9-4-2-5-10-18/h2-14,17H,15-16H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide?
N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide has a molecular weight of 437.52 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 4795824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).