N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

C17H29N3O3S — CID 30550464

IUPACN-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H29N3O3S/c1-7-20(8-2)10-9-18-17(21)15-11-13(3)14(4)16(12-15)24(22,23)19(5)6/h11-12H,7-10H2,1-6H3,(H,18,21)
InChIKeyVZPYPASVBZUCLE-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.63
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (PubChem CID 30550464) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
PubChem CID30550464
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC NameN-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCCN(CC)CCNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H29N3O3S/c1-7-20(8-2)10-9-18-17(21)15-11-13(3)14(4)16(12-15)24(22,23)19(5)6/h11-12H,7-10H2,1-6H3,(H,18,21)
InChIKeyVZPYPASVBZUCLE-UHFFFAOYSA-N
XLogP1.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide
CID 46522058
3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dimethylbenzamide
CID 55685521
3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide
CID 78794431
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 43007092
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 99614970
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 42953043
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46466291
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 33156547
ethyl 3-(dimethylsulfamoyl)-4,5-dimethylbenzoate
CID 86921528
3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894
3-amino-N-[2-(diethylamino)ethyl]-5-fluoro-4-methylbenzamide
CID 60860849
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55835773

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (CID 30550464) is N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is CCN(CC)CCNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The InChIKey is VZPYPASVBZUCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-7-20(8-2)10-9-18-17(21)15-11-13(3)14(4)16(12-15)24(22,23)19(5)6/h11-12H,7-10H2,1-6H3,(H,18,21).
What are the key properties of N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide has a molecular weight of 355.50 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 30550464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).