N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide

C13H20N2O2S — CID 43188465

IUPACN-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide
SMILESCCC(C)SCC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C13H20N2O2S/c1-4-9(2)18-8-13(16)15-12-6-5-10(17-3)7-11(12)14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyMOSXEJSGPNJPAM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.75
Rot. Bonds6

About N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide

N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide (PubChem CID 43188465) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide
PubChem CID43188465
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide
SMILESCCC(C)SCC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C13H20N2O2S/c1-4-9(2)18-8-13(16)15-12-6-5-10(17-3)7-11(12)14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyMOSXEJSGPNJPAM-UHFFFAOYSA-N
XLogP2.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.75
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

(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
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CID 60884521
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide
CID 61286623
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559
N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
CID 18071109
N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66276928
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 62803715

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide (CID 43188465) is N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide is CCC(C)SCC(=O)Nc1ccc(OC)cc1N.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide?
The InChIKey is MOSXEJSGPNJPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-9(2)18-8-13(16)15-12-6-5-10(17-3)7-11(12)14/h5-7,9H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide?
N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide has a molecular weight of 268.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide is sourced from PubChem (CID 43188465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).