N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide

C21H27N3O4S — CID 9479566

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c1
InChIInChI=1S/C21H27N3O4S/c1-14(2)23-29(27,28)18-8-6-7-17(12-18)21(26)24(5)13-20(25)22-19-11-15(3)9-10-16(19)4/h6-12,14,23H,13H2,1-5H3,(H,22,25)
InChIKeyYLBUAXIDHSRZJF-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.70
Rot. Bonds7

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 9479566) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID9479566
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c1
InChIInChI=1S/C21H27N3O4S/c1-14(2)23-29(27,28)18-8-6-7-17(12-18)21(26)24(5)13-20(25)22-19-11-15(3)9-10-16(19)4/h6-12,14,23H,13H2,1-5H3,(H,22,25)
InChIKeyYLBUAXIDHSRZJF-UHFFFAOYSA-N
XLogP2.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 9479644
N-(2-anilino-2-oxoethyl)-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46415007
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9439272
4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9479837
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 9319210
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8914643
N-methyl-3-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9219104
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 26620100
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26994635
3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 2672632
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9318892
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 27227245

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide (CID 9479566) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is YLBUAXIDHSRZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-14(2)23-29(27,28)18-8-6-7-17(12-18)21(26)24(5)13-20(25)22-19-11-15(3)9-10-16(19)4/h6-12,14,23H,13H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 9479566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).