2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide

C13H20N2O3S — CID 81207188

IUPAC2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
SMILESCOc1cc(N)ccc1S(=O)CC(=O)N(C)C(C)C
InChIInChI=1S/C13H20N2O3S/c1-9(2)15(3)13(16)8-19(17)12-6-5-10(14)7-11(12)18-4/h5-7,9H,8,14H2,1-4H3
InChIKeyBOHUDZZOXVMNPF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.25
Rot. Bonds5

About 2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide

2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide (PubChem CID 81207188) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
PubChem CID81207188
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
SMILESCOc1cc(N)ccc1S(=O)CC(=O)N(C)C(C)C
InChIInChI=1S/C13H20N2O3S/c1-9(2)15(3)13(16)8-19(17)12-6-5-10(14)7-11(12)18-4/h5-7,9H,8,14H2,1-4H3
InChIKeyBOHUDZZOXVMNPF-UHFFFAOYSA-N
XLogP1.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-methoxyphenyl)sulfonyl-N-methyl-N-propan-2-ylacetamide
CID 81206794
3-methoxy-4-propylsulfinylaniline
CID 81194743
2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
CID 61373501
2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide
CID 62113814
4-butylsulfinyl-3-methoxyaniline
CID 81194261
2-(4-amino-3-methylphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
CID 81182160
3-methoxy-4-nonylsulfinylaniline
CID 81206546
3-methoxy-4-(3,3,3-trifluoropropylsulfinyl)aniline
CID 81207515
3-methoxy-4-(2-propylsulfonylethylsulfinyl)aniline
CID 106735800
3-methoxy-4-(pyrimidin-2-ylmethylsulfinyl)aniline
CID 81207355
3-[(4-amino-2-methoxyphenyl)sulfinylmethyl]phenol
CID 81207693
2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 81200685

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide (CID 81207188) is 2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide is COc1cc(N)ccc1S(=O)CC(=O)N(C)C(C)C.
What is the InChIKey of 2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide?
The InChIKey is BOHUDZZOXVMNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)15(3)13(16)8-19(17)12-6-5-10(14)7-11(12)18-4/h5-7,9H,8,14H2,1-4H3.
What are the key properties of 2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide?
2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide has a molecular weight of 284.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 81207188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).