2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C15H21N5O3S — CID 46999906

IUPAC2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1ccc(N(CC(=O)NC(C)c2nncn2C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H21N5O3S/c1-11-5-7-13(8-6-11)20(24(4,22)23)9-14(21)17-12(2)15-18-16-10-19(15)3/h5-8,10,12H,9H2,1-4H3,(H,17,21)
InChIKeyXQEFOUUDZLUBDH-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.77
Rot. Bonds6

About 2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 46999906) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID46999906
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1ccc(N(CC(=O)NC(C)c2nncn2C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H21N5O3S/c1-11-5-7-13(8-6-11)20(24(4,22)23)9-14(21)17-12(2)15-18-16-10-19(15)3/h5-8,10,12H,9H2,1-4H3,(H,17,21)
InChIKeyXQEFOUUDZLUBDH-UHFFFAOYSA-N
XLogP0.77
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769
N,N-dimethyl-4-[[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]-methylsulfonylamino]benzamide
CID 43900385
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 28564236
2-(4-bromo-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30219947
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897328
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279303
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92684237
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43899281
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92671694
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 46999906) is 2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is Cc1ccc(N(CC(=O)NC(C)c2nncn2C)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is XQEFOUUDZLUBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-11-5-7-13(8-6-11)20(24(4,22)23)9-14(21)17-12(2)15-18-16-10-19(15)3/h5-8,10,12H,9H2,1-4H3,(H,17,21).
What are the key properties of 2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 351.43 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-methylsulfonylanilino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 46999906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).