N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

C20H23F2N3O4S — CID 55502332

IUPACN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCNC(=O)C(NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2N3O4S/c1-11-8-14(10-17(12(11)2)30(28,29)25(4)5)19(26)24-18(20(27)23-3)13-6-7-15(21)16(22)9-13/h6-10,18H,1-5H3,(H,23,27)(H,24,26)
InChIKeyNFZVUYKBTUABPK-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.05
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (PubChem CID 55502332) has the molecular formula C20H23F2N3O4S and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
PubChem CID55502332
Molecular FormulaC20H23F2N3O4S
Molecular Weight439.48 g/mol
Exact Mass439.14
IUPAC NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCNC(=O)C(NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2N3O4S/c1-11-8-14(10-17(12(11)2)30(28,29)25(4)5)19(26)24-18(20(27)23-3)13-6-7-15(21)16(22)9-13/h6-10,18H,1-5H3,(H,23,27)(H,24,26)
InChIKeyNFZVUYKBTUABPK-UHFFFAOYSA-N
XLogP2.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
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-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (CID 55502332) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is CNC(=O)C(NC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The InChIKey is NFZVUYKBTUABPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O4S/c1-11-8-14(10-17(12(11)2)30(28,29)25(4)5)19(26)24-18(20(27)23-3)13-6-7-15(21)16(22)9-13/h6-10,18H,1-5H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide has a molecular weight of 439.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 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-(dimethylsulfamoyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 55502332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).