N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

C19H21F2N3O4S — CID 55483283

IUPACN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNC(=O)C(NC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O4S/c1-10-7-13(9-16(11(10)2)29(27,28)23-4)18(25)24-17(19(26)22-3)12-5-6-14(20)15(21)8-12/h5-9,17,23H,1-4H3,(H,22,26)(H,24,25)
InChIKeyMMTOJIMYTMOBBC-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.71
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 55483283) has the molecular formula C19H21F2N3O4S and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID55483283
Molecular FormulaC19H21F2N3O4S
Molecular Weight425.46 g/mol
Exact Mass425.12
IUPAC NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNC(=O)C(NC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2N3O4S/c1-10-7-13(9-16(11(10)2)29(27,28)23-4)18(25)24-17(19(26)22-3)12-5-6-14(20)15(21)8-12/h5-9,17,23H,1-4H3,(H,22,26)(H,24,25)
InChIKeyMMTOJIMYTMOBBC-UHFFFAOYSA-N
XLogP1.71
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 55483283) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CNC(=O)C(NC(=O)c1cc(C)c(C)c(S(=O)(=O)NC)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is MMTOJIMYTMOBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O4S/c1-10-7-13(9-16(11(10)2)29(27,28)23-4)18(25)24-17(19(26)22-3)12-5-6-14(20)15(21)8-12/h5-9,17,23H,1-4H3,(H,22,26)(H,24,25).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 425.46 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55483283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).