2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide

C23H28N2O2S — CID 75440848

IUPAC2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCC2CSCCN2C(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C23H28N2O2S/c1-17-3-7-19(8-4-17)13-22(26)24-15-21-16-28-12-11-25(21)23(27)14-20-9-5-18(2)6-10-20/h3-10,21H,11-16H2,1-2H3,(H,24,26)
InChIKeyJPYOYDPPLZIMHI-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.15
Rot. Bonds6

About 2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide

2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide (PubChem CID 75440848) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide
PubChem CID75440848
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCC2CSCCN2C(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C23H28N2O2S/c1-17-3-7-19(8-4-17)13-22(26)24-15-21-16-28-12-11-25(21)23(27)14-20-9-5-18(2)6-10-20/h3-10,21H,11-16H2,1-2H3,(H,24,26)
InChIKeyJPYOYDPPLZIMHI-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea
CID 95298468
2-[4-[2-[4-(2-methylpropyl)phenyl]acetyl]thiomorpholin-3-yl]acetic acid
CID 119210376
2-[4-[2-[(2-phenylacetyl)amino]acetyl]thiomorpholin-3-yl]acetic acid
CID 119210083
2-[4-[3-[(2-phenylacetyl)amino]propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210347
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 55187813
N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073346
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63395233
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
4-[2-(4-methoxyphenyl)acetyl]thiomorpholine-3-carboxylic acid
CID 78979641
N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106124207

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide (CID 75440848) is 2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide is Cc1ccc(CC(=O)NCC2CSCCN2C(=O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide?
The InChIKey is JPYOYDPPLZIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-17-3-7-19(8-4-17)13-22(26)24-15-21-16-28-12-11-25(21)23(27)14-20-9-5-18(2)6-10-20/h3-10,21H,11-16H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide?
2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide has a molecular weight of 396.56 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide is sourced from PubChem (CID 75440848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).