N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide

C20H26N2O3S — CID 113143169

IUPACN-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(NC(=O)CCN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-14-6-8-18(9-7-14)21-19(23)10-11-22(26(5,24)25)20-16(3)12-15(2)13-17(20)4/h6-9,12-13H,10-11H2,1-5H3,(H,21,23)
InChIKeyGFFNSLSRVVHHRJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.72
Rot. Bonds6

About N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide

N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 113143169) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
PubChem CID113143169
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(NC(=O)CCN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-14-6-8-18(9-7-14)21-19(23)10-11-22(26(5,24)25)20-16(3)12-15(2)13-17(20)4/h6-9,12-13H,10-11H2,1-5H3,(H,21,23)
InChIKeyGFFNSLSRVVHHRJ-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
N-(3,4-difluorophenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143195
3-(3-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113141799
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113142511
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143714
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113142426
3-(3-methoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113144621
N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143124
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142293

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide (CID 113143169) is N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(NC(=O)CCN(c2c(C)cc(C)cc2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is GFFNSLSRVVHHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-6-8-18(9-7-14)21-19(23)10-11-22(26(5,24)25)20-16(3)12-15(2)13-17(20)4/h6-9,12-13H,10-11H2,1-5H3,(H,21,23).
What are the key properties of N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide?
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).