N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide

C12H18N2O2S — CID 61289452

IUPACN-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide
SMILESCc1ccc(NC(=O)CS(=O)C(C)C)c(N)c1
InChIInChI=1S/C12H18N2O2S/c1-8(2)17(16)7-12(15)14-11-5-4-9(3)6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyUXMMQKPTFJDJAR-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.67
Rot. Bonds4

About N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide

N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide (PubChem CID 61289452) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide
PubChem CID61289452
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide
SMILESCc1ccc(NC(=O)CS(=O)C(C)C)c(N)c1
InChIInChI=1S/C12H18N2O2S/c1-8(2)17(16)7-12(15)14-11-5-4-9(3)6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyUXMMQKPTFJDJAR-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide
CID 61286623
N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide
CID 61286626
N-(2-amino-4-methylphenyl)-3-methylpentanamide
CID 114873461
N-(2-amino-4-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376605
(2R)-N-(2-amino-4-methylphenyl)-2-methylbutanamide
CID 40788863
N-(2-amino-4-methylphenyl)-2-butan-2-yloxyacetamide
CID 54943807
N-(2-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376005
N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide
CID 108521402
N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505292
N-(2-amino-4-methylphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79681828
N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81059349
2-[(2-amino-4-methylphenyl)carbamoylamino]propanoic acid
CID 127568642

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide (CID 61289452) is N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide is Cc1ccc(NC(=O)CS(=O)C(C)C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide?
The InChIKey is UXMMQKPTFJDJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(2)17(16)7-12(15)14-11-5-4-9(3)6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide?
N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide has a molecular weight of 254.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide is sourced from PubChem (CID 61289452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).