N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide

C19H24N2O3S — CID 133231354

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C
InChIInChI=1S/C19H24N2O3S/c1-13-9-10-16(11-14(13)2)15(3)20-19(22)17-7-6-8-18(12-17)25(23,24)21(4)5/h6-12,15H,1-5H3,(H,20,22)
InChIKeyFGQGFWNQXDJATG-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.04
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide

N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 133231354) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID133231354
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C
InChIInChI=1S/C19H24N2O3S/c1-13-9-10-16(11-14(13)2)15(3)20-19(22)17-7-6-8-18(12-17)25(23,24)21(4)5/h6-12,15H,1-5H3,(H,20,22)
InChIKeyFGQGFWNQXDJATG-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733491
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 94487619
3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 18162985
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55893509
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
3-[methyl-(3-methylphenyl)sulfamoyl]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 132666889
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 24544650
3-(dimethylsulfamoyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125076333
3-(dimethylsulfamoyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 100626406
3-(dimethylsulfamoyl)-N-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 100626425
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 55893625

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide (CID 133231354) is N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide is Cc1ccc(C(C)NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is FGQGFWNQXDJATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-9-10-16(11-14(13)2)15(3)20-19(22)17-7-6-8-18(12-17)25(23,24)21(4)5/h6-12,15H,1-5H3,(H,20,22).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide?
N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 133231354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).