2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide

C16H18N2O2S — CID 43231952

IUPAC2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
SMILESCOc1ccccc1CNc1ccccc1SCC(N)=O
InChIInChI=1S/C16H18N2O2S/c1-20-14-8-4-2-6-12(14)10-18-13-7-3-5-9-15(13)21-11-16(17)19/h2-9,18H,10-11H2,1H3,(H2,17,19)
InChIKeyZGISLSZABFAJSJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.88
Rot. Bonds7

About 2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide

2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide (PubChem CID 43231952) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
PubChem CID43231952
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
SMILESCOc1ccccc1CNc1ccccc1SCC(N)=O
InChIInChI=1S/C16H18N2O2S/c1-20-14-8-4-2-6-12(14)10-18-13-7-3-5-9-15(13)21-11-16(17)19/h2-9,18H,10-11H2,1H3,(H2,17,19)
InChIKeyZGISLSZABFAJSJ-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methoxybenzamide
CID 17449163
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 102833084
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide
CID 51248663
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2-ethoxyphenyl)propanamide
CID 55388712
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 66385351
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide (CID 43231952) is 2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide is COc1ccccc1CNc1ccccc1SCC(N)=O.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is ZGISLSZABFAJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-14-8-4-2-6-12(14)10-18-13-7-3-5-9-15(13)21-11-16(17)19/h2-9,18H,10-11H2,1H3,(H2,17,19).
What are the key properties of 2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide?
2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide has a molecular weight of 302.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 43231952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).