N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide

C17H18N2O2S — CID 134062919

IUPACN-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-18-16(20)11-13-7-9-14(10-8-13)19-17(21)12-22-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyORQLAJONHLFYEC-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.71
Rot. Bonds6

About N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide

N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide (PubChem CID 134062919) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
PubChem CID134062919
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
SMILESCNC(=O)Cc1ccc(NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-18-16(20)11-13-7-9-14(10-8-13)19-17(21)12-22-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyORQLAJONHLFYEC-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134062896
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
N-[4-[[2,6-diethyl-4-[(2-phenylsulfanylacetyl)amino]phenyl]methyl]-3,5-diethylphenyl]-2-phenylsulfanylacetamide
CID 4601637
2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-N-methylacetamide
CID 36544300
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
CID 23094842

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide?
The IUPAC name of N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide (CID 134062919) is N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide is CNC(=O)Cc1ccc(NC(=O)CSc2ccccc2)cc1.
What is the InChIKey of N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide?
The InChIKey is ORQLAJONHLFYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-18-16(20)11-13-7-9-14(10-8-13)19-17(21)12-22-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide?
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide has a molecular weight of 314.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide is sourced from PubChem (CID 134062919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).