2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

C21H27N3O4S — CID 9084580

IUPAC2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(C(C)=O)c2)ccc1C
InChIInChI=1S/C21H27N3O4S/c1-5-24(6-2)29(27,28)20-13-19(11-10-15(20)3)23-21(26)14-22-18-9-7-8-17(12-18)16(4)25/h7-13,22H,5-6,14H2,1-4H3,(H,23,26)
InChIKeyBPMGKXJQKUTVIE-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.28
Rot. Bonds9

About 2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 9084580) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID9084580
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(C(C)=O)c2)ccc1C
InChIInChI=1S/C21H27N3O4S/c1-5-24(6-2)29(27,28)20-13-19(11-10-15(20)3)23-21(26)14-22-18-9-7-8-17(12-18)16(4)25/h7-13,22H,5-6,14H2,1-4H3,(H,23,26)
InChIKeyBPMGKXJQKUTVIE-UHFFFAOYSA-N
XLogP3.28
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide
CID 9100299
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
2-(3-acetylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9099428
2-(3-acetamido-4-methylanilino)-N-(3-acetylphenyl)acetamide
CID 60536243
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46817764
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide
CID 16576546
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8828438

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (CID 9084580) is 2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CNc2cccc(C(C)=O)c2)ccc1C.
What is the InChIKey of 2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is BPMGKXJQKUTVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-5-24(6-2)29(27,28)20-13-19(11-10-15(20)3)23-21(26)14-22-18-9-7-8-17(12-18)16(4)25/h7-13,22H,5-6,14H2,1-4H3,(H,23,26).
What are the key properties of 2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 417.53 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 9084580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).