N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide

C14H21N3O2S — CID 43296339

IUPACN-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)C2CCSC2)c(N)c1
InChIInChI=1S/C14H21N3O2S/c1-17(10-5-6-20-9-10)8-14(18)16-13-4-3-11(19-2)7-12(13)15/h3-4,7,10H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyOBOQCCFMLXZBGR-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.65
Rot. Bonds5

About N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide

N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide (PubChem CID 43296339) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide
PubChem CID43296339
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)C2CCSC2)c(N)c1
InChIInChI=1S/C14H21N3O2S/c1-17(10-5-6-20-9-10)8-14(18)16-13-4-3-11(19-2)7-12(13)15/h3-4,7,10H,5-6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyOBOQCCFMLXZBGR-UHFFFAOYSA-N
XLogP1.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
CID 43296316
N-(2-amino-4-methoxyphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568691
N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879538
N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
CID 114457002
1-(3-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051967
N-(5-amino-2-methoxyphenyl)-3-[methyl(thiolan-3-yl)amino]propanamide
CID 43296317
N-(2-amino-4-methoxyphenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61444830
2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4879335
N-(2-amino-4-methoxyphenyl)-4-thiomorpholin-4-ylbutanamide
CID 28556237
N-(2-amino-5-chlorophenyl)-4-[methyl(thiolan-3-yl)amino]butanamide
CID 43296286
N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
CID 61288778
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
CID 16774141

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide (CID 43296339) is N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide is COc1ccc(NC(=O)CN(C)C2CCSC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide?
The InChIKey is OBOQCCFMLXZBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-17(10-5-6-20-9-10)8-14(18)16-13-4-3-11(19-2)7-12(13)15/h3-4,7,10H,5-6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide?
N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-[methyl(thiolan-3-yl)amino]acetamide is sourced from PubChem (CID 43296339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).