2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C19H23N3O4S — CID 113155558

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)N(C)CCc2ccncc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23N3O4S/c1-15(23)17-5-4-6-18(13-17)22(27(3,25)26)14-19(24)21(2)12-9-16-7-10-20-11-8-16/h4-8,10-11,13H,9,12,14H2,1-3H3
InChIKeyQQAJIMQBITWFSL-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.75
Rot. Bonds8

About 2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 113155558) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID113155558
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)N(C)CCc2ccncc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H23N3O4S/c1-15(23)17-5-4-6-18(13-17)22(27(3,25)26)14-19(24)21(2)12-9-16-7-10-20-11-8-16/h4-8,10-11,13H,9,12,14H2,1-3H3
InChIKeyQQAJIMQBITWFSL-UHFFFAOYSA-N
XLogP1.75
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)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

2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154839
2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2971946
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 113154369
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154877
N-methyl-2-[methylsulfonyl(propan-2-yl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113147692
(2S)-2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100633467
N-methyl-2-[methylsulfonyl(pentyl)amino]-N-(2-pyridin-4-ylethyl)acetamide
CID 113153413
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]methanesulfonamide
CID 2222605
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 82537728
2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
CID 3538765
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 113155558) is 2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CC(=O)c1cccc(N(CC(=O)N(C)CCc2ccncc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is QQAJIMQBITWFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-15(23)17-5-4-6-18(13-17)22(27(3,25)26)14-19(24)21(2)12-9-16-7-10-20-11-8-16/h4-8,10-11,13H,9,12,14H2,1-3H3.
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 113155558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).