N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide

C13H20N2O2S — CID 107770544

IUPACN-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSC(C)C(C)O)cc1N
InChIInChI=1S/C13H20N2O2S/c1-8-4-5-11(6-12(8)14)15-13(17)7-18-10(3)9(2)16/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyQGDYBJOOYHFTEM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.02
Rot. Bonds5

About N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide

N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide (PubChem CID 107770544) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
PubChem CID107770544
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSC(C)C(C)O)cc1N
InChIInChI=1S/C13H20N2O2S/c1-8-4-5-11(6-12(8)14)15-13(17)7-18-10(3)9(2)16/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17)
InChIKeyQGDYBJOOYHFTEM-UHFFFAOYSA-N
XLogP2.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244448
N-(3-amino-4-fluorophenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 107770467
2-[(2S,3R)-3-hydroxybutan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 96537329
2-[2-(3-amino-4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 114231285
N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705933
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 43377361
N-(3-amino-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 62305813
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
N-(2,6-dichloro-3-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705546
N-(3-amino-4-methylphenyl)-2-(4-methylpentan-2-yloxy)acetamide
CID 43376679

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide (CID 107770544) is N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide is Cc1ccc(NC(=O)CSC(C)C(C)O)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The InChIKey is QGDYBJOOYHFTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-4-5-11(6-12(8)14)15-13(17)7-18-10(3)9(2)16/h4-6,9-10,16H,7,14H2,1-3H3,(H,15,17).
What are the key properties of N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide has a molecular weight of 268.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 107770544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).