N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide

C17H18N2O3S — CID 8884327

IUPACN-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CSC)cc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-22-15-9-7-14(8-10-15)19-17(21)12-3-5-13(6-4-12)18-16(20)11-23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAMTDEQJHCVLRRI-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.25
Rot. Bonds6

About N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide

N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide (PubChem CID 8884327) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
PubChem CID8884327
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CSC)cc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-22-15-9-7-14(8-10-15)19-17(21)12-3-5-13(6-4-12)18-16(20)11-23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAMTDEQJHCVLRRI-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
ethyl 4-[[2-[4-[(4-methoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 23095935
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
CID 86883709
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide (CID 8884327) is N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CSC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide?
The InChIKey is AMTDEQJHCVLRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-22-15-9-7-14(8-10-15)19-17(21)12-3-5-13(6-4-12)18-16(20)11-23-2/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide?
N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide has a molecular weight of 330.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 8884327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).