2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide

C11H16N2O4S — CID 81206553

IUPAC2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C11H16N2O4S/c1-7(11(14)13-2)18(15,16)10-5-4-8(12)6-9(10)17-3/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyNANWURHCTKKHIJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.19
Rot. Bonds4

About 2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide

2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide (PubChem CID 81206553) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide
PubChem CID81206553
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C11H16N2O4S/c1-7(11(14)13-2)18(15,16)10-5-4-8(12)6-9(10)17-3/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyNANWURHCTKKHIJ-UHFFFAOYSA-N
XLogP0.19
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide
CID 81206957
2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide
CID 81200717
2-(2-amino-4-fluorophenyl)sulfonyl-N-methylpropanamide
CID 81184526
2-(2-amino-4-bromophenyl)sulfonyl-N-methylpropanamide
CID 81185562
2-methoxy-5-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43323024
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methyl-N-propan-2-ylacetamide
CID 81206794
2-[2-amino-4-(trifluoromethyl)phenyl]sulfonyl-N-methylpropanamide
CID 81176309
3-methoxy-4-(4-methylpentylsulfonyl)aniline
CID 83163001
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
2-(5-amino-2-methylphenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81190278

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide (CID 81206553) is 2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide is CNC(=O)C(C)S(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide?
The InChIKey is NANWURHCTKKHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7(11(14)13-2)18(15,16)10-5-4-8(12)6-9(10)17-3/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide?
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide has a molecular weight of 272.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide is sourced from PubChem (CID 81206553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).