2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide

C13H18N2O2S — CID 114233506

IUPAC2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
SMILESCOc1ccc(N)cc1CSCC(=O)NC1CC1
InChIInChI=1S/C13H18N2O2S/c1-17-12-5-2-10(14)6-9(12)7-18-8-13(16)15-11-3-4-11/h2,5-6,11H,3-4,7-8,14H2,1H3,(H,15,16)
InChIKeyMHIOPBYMDKUYCH-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.79
Rot. Bonds6

About 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide

2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide (PubChem CID 114233506) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
PubChem CID114233506
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
SMILESCOc1ccc(N)cc1CSCC(=O)NC1CC1
InChIInChI=1S/C13H18N2O2S/c1-17-12-5-2-10(14)6-9(12)7-18-8-13(16)15-11-3-4-11/h2,5-6,11H,3-4,7-8,14H2,1H3,(H,15,16)
InChIKeyMHIOPBYMDKUYCH-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.79
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

tert-butyl 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]acetate
CID 116686926
N-cyclopentyl-2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetamide
CID 9408968
[2-(cyclopropylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321191
1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
CID 61013606
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 41286675
1-[[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]amino]-3-cyclopentylthiourea
CID 8622261
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 11935118
N-(4-aminocyclohexyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 119476462
[2-(cyclopentylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321950
2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 114233465
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)methylamino]acetamide
CID 43401917
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide (CID 114233506) is 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide is COc1ccc(N)cc1CSCC(=O)NC1CC1.
What is the InChIKey of 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide?
The InChIKey is MHIOPBYMDKUYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-17-12-5-2-10(14)6-9(12)7-18-8-13(16)15-11-3-4-11/h2,5-6,11H,3-4,7-8,14H2,1H3,(H,15,16).
What are the key properties of 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide?
2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide has a molecular weight of 266.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-methoxyphenyl)methylsulfanyl]-N-cyclopropylacetamide is sourced from PubChem (CID 114233506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).