2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide

C20H24N2O2S — CID 51332839

IUPAC2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide
SMILESCc1ccc(SCC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-14(2)20(24)22-17-8-6-16(7-9-17)12-21-19(23)13-25-18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHSOXVSVTHKLCNV-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.00
Rot. Bonds7

About 2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide

2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide (PubChem CID 51332839) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide
PubChem CID51332839
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide
SMILESCc1ccc(SCC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-14(2)20(24)22-17-8-6-16(7-9-17)12-21-19(23)13-25-18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHSOXVSVTHKLCNV-UHFFFAOYSA-N
XLogP4.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]butanamide
CID 55749581
N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 18153979
2-[4-(2-methylpropanoylamino)phenyl]sulfanylacetic acid
CID 59082373
N,N-diethyl-4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]benzamide
CID 34827481
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928
3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119701237
2-methyl-N-[4-[[[2-(prop-2-ynylamino)acetyl]amino]methyl]phenyl]propanamide
CID 78915789
2-(4-methylphenyl)sulfanyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 99970874
2-(2,5-dichlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 2536420
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-[(4-ethylsulfanylphenyl)methyl]-2-methylpropanamide
CID 110784543

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide (CID 51332839) is 2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide is Cc1ccc(SCC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide?
The InChIKey is HSOXVSVTHKLCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14(2)20(24)22-17-8-6-16(7-9-17)12-21-19(23)13-25-18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide?
2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide has a molecular weight of 356.49 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]propanamide is sourced from PubChem (CID 51332839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).