2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide

C16H18N2O2S — CID 43299053

IUPAC2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(N)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-15-5-3-2-4-12(15)10-18-16(19)11-21-14-8-6-13(17)7-9-14/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyBDJUPGGDOMJCOS-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.69
Rot. Bonds6

About 2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide

2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 43299053) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID43299053
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(N)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-15-5-3-2-4-12(15)10-18-16(19)11-21-14-8-6-13(17)7-9-14/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyBDJUPGGDOMJCOS-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-3-pyridinyl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 43301707
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
CID 112816195
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215
2-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 28711930
2-(5-amino-2-pyridinyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 107337362
2-[(5-amino-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 134001544
N-[(3-amino-4-methoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 79211970
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 75407169

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide (CID 43299053) is 2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CSc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is BDJUPGGDOMJCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-15-5-3-2-4-12(15)10-18-16(19)11-21-14-8-6-13(17)7-9-14/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 43299053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).