N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide

C23H23N3O3S — CID 55759549

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide
SMILESCN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C23H23N3O3S/c1-26(19-9-3-2-4-10-19)22-13-6-5-12-21(22)23(27)24-18-8-7-11-20(16-18)30(28,29)25-17-14-15-17/h2-13,16-17,25H,14-15H2,1H3,(H,24,27)
InChIKeyKDSFKSJOUQSKMJ-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.15
Rot. Bonds7

About N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide

N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide (PubChem CID 55759549) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide
PubChem CID55759549
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide
SMILESCN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C23H23N3O3S/c1-26(19-9-3-2-4-10-19)22-13-6-5-12-21(22)23(27)24-18-8-7-11-20(16-18)30(28,29)25-17-14-15-17/h2-13,16-17,25H,14-15H2,1H3,(H,24,27)
InChIKeyKDSFKSJOUQSKMJ-UHFFFAOYSA-N
XLogP4.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-(N-methylanilino)benzamide
CID 55736923
2-(N-methylanilino)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 60530575
2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide
CID 86872640
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-2-phenylpropanamide
CID 46532975
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51296179
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]benzamide
CID 126346371
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 43037721
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide (CID 55759549) is N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide is CN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide?
The InChIKey is KDSFKSJOUQSKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-26(19-9-3-2-4-10-19)22-13-6-5-12-21(22)23(27)24-18-8-7-11-20(16-18)30(28,29)25-17-14-15-17/h2-13,16-17,25H,14-15H2,1H3,(H,24,27).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide has a molecular weight of 421.52 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-2-(N-methylanilino)benzamide is sourced from PubChem (CID 55759549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).