N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide

C12H18N2O5S — CID 43446245

IUPACN-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide
SMILESCOCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C12H18N2O5S/c1-18-5-6-20(16,17)8-12(15)14-10-4-3-9(13)7-11(10)19-2/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15)
InChIKeyUBPSPDOGCMRULY-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.28
Rot. Bonds7

About N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide

N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide (PubChem CID 43446245) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide
PubChem CID43446245
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide
SMILESCOCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1OC
InChIInChI=1S/C12H18N2O5S/c1-18-5-6-20(16,17)8-12(15)14-10-4-3-9(13)7-11(10)19-2/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15)
InChIKeyUBPSPDOGCMRULY-UHFFFAOYSA-N
XLogP0.28
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446239
N-(5-amino-2-methoxyphenyl)-2-pentylsulfonylacetamide
CID 107751430
N-(4-amino-2-methoxyphenyl)-4-[2-methoxyethyl(methyl)amino]butanamide
CID 61427454
N-(4-amino-2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995288
3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline
CID 114112344
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
N-(5-amino-2-methylphenyl)-4-(2-methoxyethylsulfonyl)butanamide
CID 43446193
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79095434
N-(3-amino-4-fluorophenyl)-2-(2-methoxyethylsulfonyl)acetamide
CID 43446249
N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 18070547
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide (CID 43446245) is N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide is COCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1OC.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide?
The InChIKey is UBPSPDOGCMRULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-18-5-6-20(16,17)8-12(15)14-10-4-3-9(13)7-11(10)19-2/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide?
N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide has a molecular weight of 302.35 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-(2-methoxyethylsulfonyl)acetamide is sourced from PubChem (CID 43446245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).