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

C12H18N2O3S — CID 61286623

IUPACN-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)C(C)C)c(N)c1
InChIInChI=1S/C12H18N2O3S/c1-8(2)18(16)7-12(15)14-11-5-4-9(17-3)6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyNROKCBIQIVQYHJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.37
Rot. Bonds5

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

N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide (PubChem CID 61286623) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide
PubChem CID61286623
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide
SMILESCOc1ccc(NC(=O)CS(=O)C(C)C)c(N)c1
InChIInChI=1S/C12H18N2O3S/c1-8(2)18(16)7-12(15)14-11-5-4-9(17-3)6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyNROKCBIQIVQYHJ-UHFFFAOYSA-N
XLogP1.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide
CID 61289452
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884521
N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide
CID 43188465
N-(2-amino-4-methoxyphenyl)-3-pentylsulfinylpropanamide
CID 107753587
N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide
CID 61286626
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
CID 18071109
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide (CID 61286623) is N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide is COc1ccc(NC(=O)CS(=O)C(C)C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide?
The InChIKey is NROKCBIQIVQYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)18(16)7-12(15)14-11-5-4-9(17-3)6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide?
N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide has a molecular weight of 270.35 g/mol, XLogP of 1.37, 5 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-propan-2-ylsulfinylacetamide is sourced from PubChem (CID 61286623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).