N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide

C22H29N3O4S — CID 46817764

IUPACN-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CC(C)NC(=O)c2ccccc2)ccc1C
InChIInChI=1S/C22H29N3O4S/c1-5-25(6-2)30(28,29)20-15-19(13-12-16(20)3)24-21(26)14-17(4)23-22(27)18-10-8-7-9-11-18/h7-13,15,17H,5-6,14H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyPELFOZKNVGDNNG-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.17
Rot. Bonds9

About N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide

N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide (PubChem CID 46817764) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide
PubChem CID46817764
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CC(C)NC(=O)c2ccccc2)ccc1C
InChIInChI=1S/C22H29N3O4S/c1-5-25(6-2)30(28,29)20-15-19(13-12-16(20)3)24-21(26)14-17(4)23-22(27)18-10-8-7-9-11-18/h7-13,15,17H,5-6,14H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyPELFOZKNVGDNNG-UHFFFAOYSA-N
XLogP3.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898378
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[1-[3-(diethylsulfamoyl)-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 3430865
2-(3-acetylanilino)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 9084580
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 30880575
2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 8541301
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30837672
N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
CID 25408367
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-methylsulfanylbenzamide
CID 26521121
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8772028
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide (CID 46817764) is N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CC(C)NC(=O)c2ccccc2)ccc1C.
What is the InChIKey of N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide?
The InChIKey is PELFOZKNVGDNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-5-25(6-2)30(28,29)20-15-19(13-12-16(20)3)24-21(26)14-17(4)23-22(27)18-10-8-7-9-11-18/h7-13,15,17H,5-6,14H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide?
N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(diethylsulfamoyl)-4-methylanilino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 46817764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).