N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C24H23N3O4S — CID 46465654

IUPACN-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C24H23N3O4S/c1-16-13-22(16)24(29)26-18-8-5-7-17(14-18)23(28)25-19-9-6-10-20(15-19)27-32(30,31)21-11-3-2-4-12-21/h2-12,14-16,22,27H,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyYWFFPFAFLBYQSP-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.33
Rot. Bonds7

About N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 46465654) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID46465654
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C24H23N3O4S/c1-16-13-22(16)24(29)26-18-8-5-7-17(14-18)23(28)25-19-9-6-10-20(15-19)27-32(30,31)21-11-3-2-4-12-21/h2-12,14-16,22,27H,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyYWFFPFAFLBYQSP-UHFFFAOYSA-N
XLogP4.33
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52523750
N-[3-(benzenesulfonamido)phenyl]-2-ethoxycyclopropane-1-carboxamide
CID 60514684
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-(benzenesulfonamido)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46474292
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 46465654) is N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1cccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is YWFFPFAFLBYQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16-13-22(16)24(29)26-18-8-5-7-17(14-18)23(28)25-19-9-6-10-20(15-19)27-32(30,31)21-11-3-2-4-12-21/h2-12,14-16,22,27H,13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 449.53 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 46465654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).