2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide

C20H23N3O5S — CID 34584461

IUPAC2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C(N)=O)c1C
InChIInChI=1S/C20H23N3O5S/c1-13-6-7-15(29(26,27)23-8-10-28-11-9-23)12-17(13)20(25)22-18-5-3-4-16(14(18)2)19(21)24/h3-7,12H,8-11H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyDLSHRLMGFQURNH-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.68
Rot. Bonds5

About 2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide

2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide (PubChem CID 34584461) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
PubChem CID34584461
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C(N)=O)c1C
InChIInChI=1S/C20H23N3O5S/c1-13-6-7-15(29(26,27)23-8-10-28-11-9-23)12-17(13)20(25)22-18-5-3-4-16(14(18)2)19(21)24/h3-7,12H,8-11H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyDLSHRLMGFQURNH-UHFFFAOYSA-N
XLogP1.68
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 9398216
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
4,5-dimethyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
CID 56500766
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55765937
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 7638250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
The IUPAC name of 2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide (CID 34584461) is 2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide.
What is the SMILES notation for 2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
The canonical SMILES for 2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C(N)=O)c1C.
What is the InChIKey of 2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
The InChIKey is DLSHRLMGFQURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13-6-7-15(29(26,27)23-8-10-28-11-9-23)12-17(13)20(25)22-18-5-3-4-16(14(18)2)19(21)24/h3-7,12H,8-11H2,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of 2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide?
2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide has a molecular weight of 417.49 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide is sourced from PubChem (CID 34584461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).