2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide

C21H28F2N2O3S2 — CID 142522465

IUPAC2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
SMILESCC(C)(O)c1cc(F)c(S(N)=O)s1.CC(C)c1cc(F)cc(C2CC2)c1CC(N)=O
InChIInChI=1S/C14H18FNO.C7H10FNO2S2/c1-8(2)11-5-10(15)6-12(9-3-4-9)13(11)7-14(16)17;1-7(2,10)5-3-4(8)6(12-5)13(9)11/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,17);3,10H,9H2,1-2H3
InChIKeyOYBDXEVLXQTAKA-UHFFFAOYSA-N
MW458.60 g/mol
LogP3.95
Rot. Bonds6

About 2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide

2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide (PubChem CID 142522465) has the molecular formula C21H28F2N2O3S2 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
PubChem CID142522465
Molecular FormulaC21H28F2N2O3S2
Molecular Weight458.60 g/mol
Exact Mass458.15
IUPAC Name2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
SMILESCC(C)(O)c1cc(F)c(S(N)=O)s1.CC(C)c1cc(F)cc(C2CC2)c1CC(N)=O
InChIInChI=1S/C14H18FNO.C7H10FNO2S2/c1-8(2)11-5-10(15)6-12(9-3-4-9)13(11)7-14(16)17;1-7(2,10)5-3-4(8)6(12-5)13(9)11/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,17);3,10H,9H2,1-2H3
InChIKeyOYBDXEVLXQTAKA-UHFFFAOYSA-N
XLogP3.95
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[4-(2-hydroxypropan-2-yl)-3-methylthiophen-2-yl]sulfonylacetamide
CID 132048647
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[4-(2-hydroxypropan-2-yl)-5-methylthiophen-2-yl]sulfonylacetamide
CID 132048650
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[4-(1-hydroxycyclopropyl)thiophen-2-yl]sulfonylacetamide
CID 132048651
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide
CID 132048658
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide
CID 132048667
2-[4-chloro-3,5-difluoro-2,6-di(propan-2-yl)phenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide
CID 132048669
2-(6-fluoro-3-methyl-5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)-N-[4-(1-hydroxycyclopropyl)thiophen-2-yl]sulfonylacetamide
CID 132048813
2-[3-fluoro-2,6-di(propan-2-yl)phenyl]-N-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]sulfonylacetamide
CID 132048823
N-[amino-[4-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-lambda6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 137459034
N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-lambda6-sulfanylidene]-2-(4-chloro-6-cyclopropyl-3-fluoro-2-propan-2-ylphenyl)acetamide
CID 137459093
N-[amino-[3-fluoro-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-oxo-lambda6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 137459096
N-[amino-[4-(2-hydroxypropan-2-yl)-5-methylthiophen-2-yl]-oxo-lambda6-sulfanylidene]-2-[3-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 137459168

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide?
The IUPAC name of 2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide (CID 142522465) is 2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide.
What is the SMILES notation for 2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide?
The canonical SMILES for 2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide is CC(C)(O)c1cc(F)c(S(N)=O)s1.CC(C)c1cc(F)cc(C2CC2)c1CC(N)=O.
What is the InChIKey of 2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide?
The InChIKey is OYBDXEVLXQTAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO.C7H10FNO2S2/c1-8(2)11-5-10(15)6-12(9-3-4-9)13(11)7-14(16)17;1-7(2,10)5-3-4(8)6(12-5)13(9)11/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,17);3,10H,9H2,1-2H3.
What are the key properties of 2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide?
2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide has a molecular weight of 458.60 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide is sourced from PubChem (CID 142522465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).