N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide

C19H28N4O3S — CID 78822346

IUPACN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CCC#N)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C19H28N4O3S/c1-16-8-9-17(21-19(24)15-22(2)11-7-10-20)14-18(16)27(25,26)23-12-5-3-4-6-13-23/h8-9,14H,3-7,11-13,15H2,1-2H3,(H,21,24)
InChIKeyZLANQUICMCTPCY-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.34
Rot. Bonds7

About N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide (PubChem CID 78822346) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide
PubChem CID78822346
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CCC#N)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C19H28N4O3S/c1-16-8-9-17(21-19(24)15-22(2)11-7-10-20)14-18(16)27(25,26)23-12-5-3-4-6-13-23/h8-9,14H,3-7,11-13,15H2,1-2H3,(H,21,24)
InChIKeyZLANQUICMCTPCY-UHFFFAOYSA-N
XLogP2.34
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]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-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8901179
N-cyclopropyl-2-[methyl-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]acetamide
CID 9052709
2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 18078412
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489260
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
2-(2,3-dihydroindol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8704410
2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N,N-dimethylacetamide
CID 32898605
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-phenoxypropanamide
CID 35728693

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide (CID 78822346) is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)CCC#N)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide?
The InChIKey is ZLANQUICMCTPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-16-8-9-17(21-19(24)15-22(2)11-7-10-20)14-18(16)27(25,26)23-12-5-3-4-6-13-23/h8-9,14H,3-7,11-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide?
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide has a molecular weight of 392.53 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[2-cyanoethyl(methyl)amino]acetamide is sourced from PubChem (CID 78822346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).