N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide

C16H25N3O3S — CID 119675127

IUPACN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C16H25N3O3S/c1-13-7-8-14(18-16(20)12-17-2)11-15(13)23(21,22)19-9-5-3-4-6-10-19/h7-8,11,17H,3-6,9-10,12H2,1-2H3,(H,18,20)
InChIKeyYUSIIZGHZYPUOS-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.72
Rot. Bonds5

About N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide (PubChem CID 119675127) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
PubChem CID119675127
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C16H25N3O3S/c1-13-7-8-14(18-16(20)12-17-2)11-15(13)23(21,22)19-9-5-3-4-6-10-19/h7-8,11,17H,3-6,9-10,12H2,1-2H3,(H,18,20)
InChIKeyYUSIIZGHZYPUOS-UHFFFAOYSA-N
XLogP1.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)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-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 18078412
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489260
2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 4303625
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-(methylamino)acetamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide (CID 119675127) is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide?
The InChIKey is YUSIIZGHZYPUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13-7-8-14(18-16(20)12-17-2)11-15(13)23(21,22)19-9-5-3-4-6-10-19/h7-8,11,17H,3-6,9-10,12H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide?
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119675127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).