N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

C20H24N2O2S — CID 38585805

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CSCc2cccc(C)c2)c1
InChIInChI=1S/C20H24N2O2S/c1-15-6-4-8-18(10-15)13-25-14-20(24)21-19-9-5-7-17(11-19)12-22(3)16(2)23/h4-11H,12-14H2,1-3H3,(H,21,24)
InChIKeyNXPIGOIFAOIMBS-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.85
Rot. Bonds7

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 38585805) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID38585805
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CSCc2cccc(C)c2)c1
InChIInChI=1S/C20H24N2O2S/c1-15-6-4-8-18(10-15)13-25-14-20(24)21-19-9-5-7-17(11-19)12-22(3)16(2)23/h4-11H,12-14H2,1-3H3,(H,21,24)
InChIKeyNXPIGOIFAOIMBS-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 26371180
5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
CID 60941960
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
N-(3-methylphenyl)-2-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 86932695
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
CID 54924609
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 100535339
N-(4-methyl-2-oxochromen-7-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 17488318
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
CID 43699890
2-[(3-methylphenyl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926182

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 38585805) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is CC(=O)N(C)Cc1cccc(NC(=O)CSCc2cccc(C)c2)c1.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is NXPIGOIFAOIMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-6-4-8-18(10-15)13-25-14-20(24)21-19-9-5-7-17(11-19)12-22(3)16(2)23/h4-11H,12-14H2,1-3H3,(H,21,24).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 356.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 38585805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).