4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide

C20H25N3O4S — CID 38402732

IUPAC4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)NC)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-23(5-2)28(26,27)18-12-8-16(9-13-18)20(25)22-17-10-6-15(7-11-17)14-19(24)21-3/h6-13H,4-5,14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeySMWOUSFGWDWQFW-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.26
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide

4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide (PubChem CID 38402732) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
PubChem CID38402732
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)NC)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-23(5-2)28(26,27)18-12-8-16(9-13-18)20(25)22-17-10-6-15(7-11-17)14-19(24)21-3/h6-13H,4-5,14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeySMWOUSFGWDWQFW-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 8615900
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41468608
N-[4-(diethylsulfamoyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1295864
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
4-iodo-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364713
N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide (CID 38402732) is 4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)NC)cc2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
The InChIKey is SMWOUSFGWDWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-23(5-2)28(26,27)18-12-8-16(9-13-18)20(25)22-17-10-6-15(7-11-17)14-19(24)21-3/h6-13H,4-5,14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide?
4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 38402732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).