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

C20H25N3O4S — CID 9341770

IUPAC4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-23(5-2)28(26,27)18-11-9-16(10-12-18)20(25)21-14-19(24)22-17-8-6-7-15(3)13-17/h6-13H,4-5,14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyUTXINEZFSSEJMZ-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.39
Rot. Bonds8

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

4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide (PubChem CID 9341770) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
PubChem CID9341770
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-23(5-2)28(26,27)18-11-9-16(10-12-18)20(25)21-14-19(24)22-17-8-6-7-15(3)13-17/h6-13H,4-5,14H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyUTXINEZFSSEJMZ-UHFFFAOYSA-N
XLogP2.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 9245668
N-[2-(3-methylanilino)-2-oxoethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 9038896
[2-(3-acetylanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304230
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
[2-(3-fluoroanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55303991
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 45372341
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[[4-(3-chlorophenyl)-5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-(diethylsulfamoyl)benzamide
CID 43947999
N-[3-[3-(diethylsulfamoyl)anilino]-3-oxopropyl]-4-nitrobenzamide
CID 4850051
2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide
CID 26439552
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide (CID 9341770) is 4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
The InChIKey is UTXINEZFSSEJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-23(5-2)28(26,27)18-11-9-16(10-12-18)20(25)21-14-19(24)22-17-8-6-7-15(3)13-17/h6-13H,4-5,14H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9341770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).