3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide

C21H25F2N3O4S — CID 55483705

IUPAC3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C(=O)NC)c2ccc(F)c(F)c2)ccc1C
InChIInChI=1S/C21H25F2N3O4S/c1-5-26(6-2)31(29,30)18-12-15(8-7-13(18)3)20(27)25-19(21(28)24-4)14-9-10-16(22)17(23)11-14/h7-12,19H,5-6H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyOBOYNTTVPJPDGQ-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.52
Rot. Bonds8

About 3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide

3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide (PubChem CID 55483705) has the molecular formula C21H25F2N3O4S and a molecular weight of 453.51 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide
PubChem CID55483705
Molecular FormulaC21H25F2N3O4S
Molecular Weight453.51 g/mol
Exact Mass453.15
IUPAC Name3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC(C(=O)NC)c2ccc(F)c(F)c2)ccc1C
InChIInChI=1S/C21H25F2N3O4S/c1-5-26(6-2)31(29,30)18-12-15(8-7-13(18)3)20(27)25-19(21(28)24-4)14-9-10-16(22)17(23)11-14/h7-12,19H,5-6H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyOBOYNTTVPJPDGQ-UHFFFAOYSA-N
XLogP2.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 134051669
N-(4-chloro-2-fluorophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26409898
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119668137
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 55595903
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
(2S)-2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]hexanoic acid
CID 120614682
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55629313

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide (CID 55483705) is 3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC(C(=O)NC)c2ccc(F)c(F)c2)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is OBOYNTTVPJPDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O4S/c1-5-26(6-2)31(29,30)18-12-15(8-7-13(18)3)20(27)25-19(21(28)24-4)14-9-10-16(22)17(23)11-14/h7-12,19H,5-6H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide?
3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 453.51 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 55483705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).