N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide

C17H20N2O3S — CID 35538189

IUPACN-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H20N2O3S/c1-4-17(20)18-14-6-5-7-15(11-14)19-23(21,22)16-9-8-12(2)13(3)10-16/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyWPZVOPXIYZHMTM-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.45
Rot. Bonds5

About N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide

N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide (PubChem CID 35538189) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide
PubChem CID35538189
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H20N2O3S/c1-4-17(20)18-14-6-5-7-15(11-14)19-23(21,22)16-9-8-12(2)13(3)10-16/h5-11,19H,4H2,1-3H3,(H,18,20)
InChIKeyWPZVOPXIYZHMTM-UHFFFAOYSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-propanoylbenzenesulfonamide
CID 112838625
N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 62999117
2-methoxy-N-[3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 35545961
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998662
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
methyl 3-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999907
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide
CID 54790569
2-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]amino]-N-(3-fluorophenyl)acetamide
CID 9412305
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
2-methoxy-N-[3-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]acetamide
CID 25335006
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide?
The IUPAC name of N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide (CID 35538189) is N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide.
What is the SMILES notation for N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide?
The canonical SMILES for N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide?
The InChIKey is WPZVOPXIYZHMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-4-17(20)18-14-6-5-7-15(11-14)19-23(21,22)16-9-8-12(2)13(3)10-16/h5-11,19H,4H2,1-3H3,(H,18,20).
What are the key properties of N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide?
N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide has a molecular weight of 332.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 35538189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).