N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide

C21H28N2O3S — CID 113143094

IUPACN-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
SMILESCc1ccc(NC(=O)CCN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-15(2)18-7-9-19(10-8-18)23(27(5,25)26)13-12-21(24)22-20-11-6-16(3)14-17(20)4/h6-11,14-15H,12-13H2,1-5H3,(H,22,24)
InChIKeySLILSZCTRNATLU-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.22
Rot. Bonds7

About N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide

N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide (PubChem CID 113143094) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
PubChem CID113143094
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
SMILESCc1ccc(NC(=O)CCN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C21H28N2O3S/c1-15(2)18-7-9-19(10-8-18)23(27(5,25)26)13-12-21(24)22-20-11-6-16(3)14-17(20)4/h6-11,14-15H,12-13H2,1-5H3,(H,22,24)
InChIKeySLILSZCTRNATLU-UHFFFAOYSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113142511
3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide
CID 113145737
N-(2,4-dimethylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141664
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142091
N-(4-chloro-2-methylphenyl)-3-(N-methylsulfonylanilino)propanamide
CID 113141532
N-(4-chloro-2-methylphenyl)-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142311
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1102314
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 28564236
3-(4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113141978
4-(3-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 9173735
3-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113146149

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide (CID 113143094) is N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide is Cc1ccc(NC(=O)CCN(c2ccc(C(C)C)cc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
The InChIKey is SLILSZCTRNATLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(2)18-7-9-19(10-8-18)23(27(5,25)26)13-12-21(24)22-20-11-6-16(3)14-17(20)4/h6-11,14-15H,12-13H2,1-5H3,(H,22,24).
What are the key properties of N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide?
N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide has a molecular weight of 388.53 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide is sourced from PubChem (CID 113143094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).