N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide

C20H24N2O2S — CID 56835627

IUPACN-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide
SMILESCc1ccccc1CN1CCCCC(NC(=O)Cc2cccs2)C1=O
InChIInChI=1S/C20H24N2O2S/c1-15-7-2-3-8-16(15)14-22-11-5-4-10-18(20(22)24)21-19(23)13-17-9-6-12-25-17/h2-3,6-9,12,18H,4-5,10-11,13-14H2,1H3,(H,21,23)
InChIKeyPJOZTEMBONUMCT-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.30
Rot. Bonds5

About N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide

N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 56835627) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide
PubChem CID56835627
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide
SMILESCc1ccccc1CN1CCCCC(NC(=O)Cc2cccs2)C1=O
InChIInChI=1S/C20H24N2O2S/c1-15-7-2-3-8-16(15)14-22-11-5-4-10-18(20(22)24)21-19(23)13-17-9-6-12-25-17/h2-3,6-9,12,18H,4-5,10-11,13-14H2,1H3,(H,21,23)
InChIKeyPJOZTEMBONUMCT-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]benzamide
CID 56835635
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 3511301
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 95942009
N-[(2-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730994
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
2-methyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]benzamide
CID 59873509
2-acetamido-N-[(3S)-1-benzyl-2-oxoazepan-3-yl]propanamide
CID 59872516
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylacetamide
CID 47143342
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
N-(1-benzyl-2-oxoazepan-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 10225419
1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid
CID 116837741

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide (CID 56835627) is N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide is Cc1ccccc1CN1CCCCC(NC(=O)Cc2cccs2)C1=O.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is PJOZTEMBONUMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-7-2-3-8-16(15)14-22-11-5-4-10-18(20(22)24)21-19(23)13-17-9-6-12-25-17/h2-3,6-9,12,18H,4-5,10-11,13-14H2,1H3,(H,21,23).
What are the key properties of N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide?
N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 356.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 56835627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).