3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

C20H26N2O3S — CID 51292168

IUPAC3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-14-5-6-17(15(2)13-14)9-12-20(23)22(4)16(3)18-7-10-19(11-8-18)26(21,24)25/h5-8,10-11,13,16H,9,12H2,1-4H3,(H2,21,24,25)
InChIKeyXMNMMUOEROFXIM-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.10
Rot. Bonds6

About 3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 51292168) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID51292168
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H26N2O3S/c1-14-5-6-17(15(2)13-14)9-12-20(23)22(4)16(3)18-7-10-19(11-8-18)26(21,24)25/h5-8,10-11,13,16H,9,12H2,1-4H3,(H2,21,24,25)
InChIKeyXMNMMUOEROFXIM-UHFFFAOYSA-N
XLogP3.10
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 42919947
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 55439563
2-[3-(2,4-dimethylphenyl)propanoyl-methylamino]propanoic acid
CID 119209194
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8695736
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
3-(2,5-dimethylphenyl)-1-methyl-1-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiourea
CID 9215572
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695476
2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 166187865
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide
CID 115272486
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide (CID 51292168) is 3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is Cc1ccc(CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is XMNMMUOEROFXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-5-6-17(15(2)13-14)9-12-20(23)22(4)16(3)18-7-10-19(11-8-18)26(21,24)25/h5-8,10-11,13,16H,9,12H2,1-4H3,(H2,21,24,25).
What are the key properties of 3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide?
3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 51292168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).