3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide

C19H33N3O3S — CID 46522058

IUPAC3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)NCCN(C(C)C)C(C)C)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C19H33N3O3S/c1-13(2)22(14(3)4)10-9-20-19(23)17-11-15(5)16(6)18(12-17)26(24,25)21(7)8/h11-14H,9-10H2,1-8H3,(H,20,23)
InChIKeyWGIIEOJXRRLSHJ-UHFFFAOYSA-N
MW383.56 g/mol
LogP2.40
Rot. Bonds8

About 3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide

3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide (PubChem CID 46522058) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide
PubChem CID46522058
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC Name3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)NCCN(C(C)C)C(C)C)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C19H33N3O3S/c1-13(2)22(14(3)4)10-9-20-19(23)17-11-15(5)16(6)18(12-17)26(24,25)21(7)8/h11-14H,9-10H2,1-8H3,(H,20,23)
InChIKeyWGIIEOJXRRLSHJ-UHFFFAOYSA-N
XLogP2.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 30550464
3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dimethylbenzamide
CID 55685521
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 33156547
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide
CID 78794431
3-(dimethylsulfamoyl)-4,5-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55835773
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-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46466291
3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide
CID 134028865
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18160821

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide (CID 46522058) is 3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide is Cc1cc(C(=O)NCCN(C(C)C)C(C)C)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide?
The InChIKey is WGIIEOJXRRLSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c1-13(2)22(14(3)4)10-9-20-19(23)17-11-15(5)16(6)18(12-17)26(24,25)21(7)8/h11-14H,9-10H2,1-8H3,(H,20,23).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide?
3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide has a molecular weight of 383.56 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide is sourced from PubChem (CID 46522058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).