3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide

C20H26N2O3S — CID 113142293

IUPAC3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C
InChIInChI=1S/C20H26N2O3S/c1-14-6-8-18(12-16(14)3)21-20(23)10-11-22(26(5,24)25)19-9-7-15(2)17(4)13-19/h6-9,12-13H,10-11H2,1-5H3,(H,21,23)
InChIKeyIQXNZYNTZDMZKO-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.72
Rot. Bonds6

About 3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide

3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide (PubChem CID 113142293) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
PubChem CID113142293
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C
InChIInChI=1S/C20H26N2O3S/c1-14-6-8-18(12-16(14)3)21-20(23)10-11-22(26(5,24)25)19-9-7-15(2)17(4)13-19/h6-9,12-13H,10-11H2,1-5H3,(H,21,23)
InChIKeyIQXNZYNTZDMZKO-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

3-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113143922
N-(3,4-dimethylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141510
3-(3-acetyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113145353
N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142311
N-(3,4-dimethoxyphenyl)-4-(3,4-dimethyl-N-methylsulfonylanilino)butanamide
CID 53280943
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113142623
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)butanamide
CID 53280923
3-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]benzamide
CID 53280869
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]butanamide
CID 99943076
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142277
N-(3,4-dimethoxyphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141982
N-(3,4-dimethylphenyl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53287006

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide (CID 113142293) is 3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1C.
What is the InChIKey of 3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is IQXNZYNTZDMZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-6-8-18(12-16(14)3)21-20(23)10-11-22(26(5,24)25)19-9-7-15(2)17(4)13-19/h6-9,12-13H,10-11H2,1-5H3,(H,21,23).
What are the key properties of 3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide?
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)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 3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113142293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).