2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

C22H30FN3O3S — CID 78828445

IUPAC2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NCC(=O)N(C)C(C)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C22H30FN3O3S/c1-6-26(7-2)30(28,29)21-14-20(13-8-16(21)3)24-15-22(27)25(5)17(4)18-9-11-19(23)12-10-18/h8-14,17,24H,6-7,15H2,1-5H3
InChIKeyOZDITDIZVRUBBN-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.80
Rot. Bonds9

About 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 78828445) has the molecular formula C22H30FN3O3S and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID78828445
Molecular FormulaC22H30FN3O3S
Molecular Weight435.57 g/mol
Exact Mass435.20
IUPAC Name2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NCC(=O)N(C)C(C)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C22H30FN3O3S/c1-6-26(7-2)30(28,29)21-14-20(13-8-16(21)3)24-15-22(27)25(5)17(4)18-9-11-19(23)12-10-18/h8-14,17,24H,6-7,15H2,1-5H3
InChIKeyOZDITDIZVRUBBN-UHFFFAOYSA-N
XLogP3.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 26010193
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 26759612
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
CID 112781624
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8772028
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711948
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,4-difluoro-6-hydroxybenzamide
CID 60599109
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 78828445) is 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is CCN(CC)S(=O)(=O)c1cc(NCC(=O)N(C)C(C)c2ccc(F)cc2)ccc1C.
What is the InChIKey of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is OZDITDIZVRUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O3S/c1-6-26(7-2)30(28,29)21-14-20(13-8-16(21)3)24-15-22(27)25(5)17(4)18-9-11-19(23)12-10-18/h8-14,17,24H,6-7,15H2,1-5H3.
What are the key properties of 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 435.57 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylsulfamoyl)-4-methylanilino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 78828445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).