N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide

C19H24N2O4S — CID 132656635

IUPACN-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(N(C(C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-13-9-10-18(14(2)11-13)20-19(22)15(3)21(26(5,23)24)16-7-6-8-17(12-16)25-4/h6-12,15H,1-5H3,(H,20,22)
InChIKeyXVPZHJLOATYMSP-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.11
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide

N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 132656635) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID132656635
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC NameN-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1cccc(N(C(C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1
InChIInChI=1S/C19H24N2O4S/c1-13-9-10-18(14(2)11-13)20-19(22)15(3)21(26(5,23)24)16-7-6-8-17(12-16)25-4/h6-12,15H,1-5H3,(H,20,22)
InChIKeyXVPZHJLOATYMSP-UHFFFAOYSA-N
XLogP3.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125044091
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 132664782
2-[2-(3-methoxy-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide
CID 132670001
(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 124561263
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 125072382
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132668096
N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132654304
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132671548
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132659291
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2943510

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide (CID 132656635) is N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide is COc1cccc(N(C(C)C(=O)Nc2ccc(C)cc2C)S(C)(=O)=O)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is XVPZHJLOATYMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13-9-10-18(14(2)11-13)20-19(22)15(3)21(26(5,23)24)16-7-6-8-17(12-16)25-4/h6-12,15H,1-5H3,(H,20,22).
What are the key properties of N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide?
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 376.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132656635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).