2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide

C14H22N2O4S — CID 81200717

IUPAC2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)S(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H22N2O4S/c1-5-9(2)16-14(17)10(3)21(18,19)13-7-6-11(15)8-12(13)20-4/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyAOOXCCDRNOQBEK-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.35
Rot. Bonds6

About 2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide

2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide (PubChem CID 81200717) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide
PubChem CID81200717
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)S(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H22N2O4S/c1-5-9(2)16-14(17)10(3)21(18,19)13-7-6-11(15)8-12(13)20-4/h6-10H,5,15H2,1-4H3,(H,16,17)
InChIKeyAOOXCCDRNOQBEK-UHFFFAOYSA-N
XLogP1.35
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.35
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-methylpropanamide
CID 81206553
2-(4-amino-2-methoxyphenyl)sulfonyl-N-carbamoylpropanamide
CID 81206957
2-(4-amino-2-bromophenyl)sulfonyl-N-pentan-3-ylpropanamide
CID 82839375
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
2-(4-amino-2-methoxyphenyl)sulfanyl-N-pentan-2-ylpropanamide
CID 79829742
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
4-amino-2-methoxy-N-pent-4-en-2-ylbenzenesulfonamide
CID 113466272
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-(5-amino-2-chlorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81201760

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide (CID 81200717) is 2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)S(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide?
The InChIKey is AOOXCCDRNOQBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-9(2)16-14(17)10(3)21(18,19)13-7-6-11(15)8-12(13)20-4/h6-10H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide?
2-(4-amino-2-methoxyphenyl)sulfonyl-N-butan-2-ylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 1.35, 6 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-butan-2-ylpropanamide is sourced from PubChem (CID 81200717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).