3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide

C22H30N2O4S — CID 33156547

IUPAC3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2ccc(OC(C)C)cc2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C22H30N2O4S/c1-15(2)28-20-9-7-18(8-10-20)11-12-23-22(25)19-13-16(3)17(4)21(14-19)29(26,27)24(5)6/h7-10,13-15H,11-12H2,1-6H3,(H,23,25)
InChIKeyDAOCQVVWOAUYMN-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.31
Rot. Bonds8

About 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 33156547) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID33156547
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCc1cc(C(=O)NCCc2ccc(OC(C)C)cc2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C22H30N2O4S/c1-15(2)28-20-9-7-18(8-10-20)11-12-23-22(25)19-13-16(3)17(4)21(14-19)29(26,27)24(5)6/h7-10,13-15H,11-12H2,1-6H3,(H,23,25)
InChIKeyDAOCQVVWOAUYMN-UHFFFAOYSA-N
XLogP3.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46466291
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
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
N-[4-(difluoromethoxy)phenyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 34273541
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 30550464
5-(diethylsulfamoyl)-2-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 33161310
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 99614970
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110601253
3-(dimethylsulfamoyl)-4,5-dimethyl-N-pentan-3-ylbenzamide
CID 78794431

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide (CID 33156547) is 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide is Cc1cc(C(=O)NCCc2ccc(OC(C)C)cc2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is DAOCQVVWOAUYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-15(2)28-20-9-7-18(8-10-20)11-12-23-22(25)19-13-16(3)17(4)21(14-19)29(26,27)24(5)6/h7-10,13-15H,11-12H2,1-6H3,(H,23,25).
What are the key properties of 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 418.56 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 33156547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).