3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide

C19H31N3O4S — CID 32646437

IUPAC3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
SMILESCCCCCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C19H31N3O4S/c1-4-7-8-9-13-20-18(23)15-21-19(24)16-11-10-12-17(14-16)27(25,26)22(5-2)6-3/h10-12,14H,4-9,13,15H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySZFCHNNNZOHHGA-UHFFFAOYSA-N
MW397.54 g/mol
LogP2.14
Rot. Bonds12

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

3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide (PubChem CID 32646437) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
PubChem CID32646437
Molecular FormulaC19H31N3O4S
Molecular Weight397.54 g/mol
Exact Mass397.20
IUPAC Name3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide
SMILESCCCCCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1
InChIInChI=1S/C19H31N3O4S/c1-4-7-8-9-13-20-18(23)15-21-19(24)16-11-10-12-17(14-16)27(25,26)22(5-2)6-3/h10-12,14H,4-9,13,15H2,1-3H3,(H,20,23)(H,21,24)
InChIKeySZFCHNNNZOHHGA-UHFFFAOYSA-N
XLogP2.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 31686539
3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120827304
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
N-[2-[(1-amino-2-methylpropan-2-yl)amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide;hydrochloride
CID 119521498
3-(diethylsulfamoyl)-N-[2-[[(2R)-3-hydroxy-2-phenylpropyl]amino]-2-oxoethyl]benzamide
CID 96529266
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
3-(diethylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 27897925
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015
N-[2-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 34524023

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide (CID 32646437) is 3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide is CCCCCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide?
The InChIKey is SZFCHNNNZOHHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-4-7-8-9-13-20-18(23)15-21-19(24)16-11-10-12-17(14-16)27(25,26)22(5-2)6-3/h10-12,14H,4-9,13,15H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide?
3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide has a molecular weight of 397.54 g/mol, XLogP of 2.14, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-(hexylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 32646437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).