4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide

C21H26N2O4S — CID 55439563

IUPAC4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C21H26N2O4S/c1-14-5-6-18(13-15(14)2)20(24)11-12-21(25)23(4)16(3)17-7-9-19(10-8-17)28(22,26)27/h5-10,13,16H,11-12H2,1-4H3,(H2,22,26,27)
InChIKeyJKPYUTPORBTWEN-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.13
Rot. Bonds7

About 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide

4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 55439563) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID55439563
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C21H26N2O4S/c1-14-5-6-18(13-15(14)2)20(24)11-12-21(25)23(4)16(3)17-7-9-19(10-8-17)28(22,26)27/h5-10,13,16H,11-12H2,1-4H3,(H2,22,26,27)
InChIKeyJKPYUTPORBTWEN-UHFFFAOYSA-N
XLogP3.13
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethylphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51292168
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 42919947
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538895
N,4-dimethyl-3-pyrrol-1-yl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 24612098
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide (CID 55439563) is 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide is Cc1ccc(C(=O)CCC(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is JKPYUTPORBTWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-14-5-6-18(13-15(14)2)20(24)11-12-21(25)23(4)16(3)17-7-9-19(10-8-17)28(22,26)27/h5-10,13,16H,11-12H2,1-4H3,(H2,22,26,27).
What are the key properties of 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 402.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 55439563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).