N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide

C27H23N3O5S — CID 142738756

IUPACN-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C27H23N3O5S/c1-28-26(31)19-8-5-10-21(16-19)29-27(32)20-9-6-15-25(17-20)36(33,34)30-22-11-7-14-24(18-22)35-23-12-3-2-4-13-23/h2-18,30H,1H3,(H,28,31)(H,29,32)
InChIKeyNAUJZIAIAZQHKG-UHFFFAOYSA-N
MW501.56 g/mol
LogP4.89
Rot. Bonds8

About N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide

N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 142738756) has the molecular formula C27H23N3O5S and a molecular weight of 501.56 g/mol. Its IUPAC name is N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID142738756
Molecular FormulaC27H23N3O5S
Molecular Weight501.56 g/mol
Exact Mass501.14
IUPAC NameN-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C27H23N3O5S/c1-28-26(31)19-8-5-10-21(16-19)29-27(32)20-9-6-15-25(17-20)36(33,34)30-22-11-7-14-24(18-22)35-23-12-3-2-4-13-23/h2-18,30H,1H3,(H,28,31)(H,29,32)
InChIKeyNAUJZIAIAZQHKG-UHFFFAOYSA-N
XLogP4.89
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738706
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27167566
N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 142738684
3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 4100122
3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
CID 31580763
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 55973067
4-[[3-[(3-acetylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1355824
4-[[3-[(3-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 158643553
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide (CID 142738756) is N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Oc4ccccc4)c3)c2)c1.
What is the InChIKey of N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is NAUJZIAIAZQHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O5S/c1-28-26(31)19-8-5-10-21(16-19)29-27(32)20-9-6-15-25(17-20)36(33,34)30-22-11-7-14-24(18-22)35-23-12-3-2-4-13-23/h2-18,30H,1H3,(H,28,31)(H,29,32).
What are the key properties of N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide?
N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 501.56 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 142738756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).