2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide

C12H16F2N2O2S — CID 61373501

IUPAC2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CS(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H16F2N2O2S/c1-7(2)16(3)11(17)6-19(18)12-9(13)4-8(15)5-10(12)14/h4-5,7H,6,15H2,1-3H3
InChIKeyRTQQYVDLCZPFQN-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.52
Rot. Bonds4

About 2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide

2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide (PubChem CID 61373501) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
PubChem CID61373501
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CS(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H16F2N2O2S/c1-7(2)16(3)11(17)6-19(18)12-9(13)4-8(15)5-10(12)14/h4-5,7H,6,15H2,1-3H3
InChIKeyRTQQYVDLCZPFQN-UHFFFAOYSA-N
XLogP1.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide
CID 61369612
2-(4-amino-2-methoxyphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
CID 81207188
2-(4-amino-3-methylphenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide
CID 81182160
3,5-difluoro-4-(4-methylpentylsulfinyl)aniline
CID 83161624
2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43259288
2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide
CID 62113814
4-(4-amino-2,6-difluorophenyl)sulfinyl-N-methylbutanamide
CID 63891036
2-(1-aminopropan-2-ylsulfinyl)-N-methyl-N-propan-2-ylacetamide
CID 81186323
4-(2-tert-butylsulfonylethylsulfinyl)-3,5-difluoroaniline
CID 106728965
2-(3-bromo-4-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 104777465
3,5-difluoro-4-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]aniline
CID 64772814
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 4-amino-2,5-difluorobenzoate
CID 104700324

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide (CID 61373501) is 2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CS(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide?
The InChIKey is RTQQYVDLCZPFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-7(2)16(3)11(17)6-19(18)12-9(13)4-8(15)5-10(12)14/h4-5,7H,6,15H2,1-3H3.
What are the key properties of 2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide?
2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide has a molecular weight of 290.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)sulfinyl-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 61373501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).