2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide

C20H20FN3O3S2 — CID 70858790

IUPAC2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide
SMILESCC(C)(N)S(=O)(=O)c1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1
InChIInChI=1S/C20H20FN3O3S2/c1-20(2,22)29(26,27)16-5-3-4-13(8-16)9-18(25)24-19-11-15(12-28-19)14-6-7-23-17(21)10-14/h3-8,10-12H,9,22H2,1-2H3,(H,24,25)
InChIKeyWZSBGDFMQBUIIQ-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.60
Rot. Bonds6

About 2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide

2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide (PubChem CID 70858790) has the molecular formula C20H20FN3O3S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide
PubChem CID70858790
Molecular FormulaC20H20FN3O3S2
Molecular Weight433.53 g/mol
Exact Mass433.09
IUPAC Name2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide
SMILESCC(C)(N)S(=O)(=O)c1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1
InChIInChI=1S/C20H20FN3O3S2/c1-20(2,22)29(26,27)16-5-3-4-13(8-16)9-18(25)24-19-11-15(12-28-19)14-6-7-23-17(21)10-14/h3-8,10-12H,9,22H2,1-2H3,(H,24,25)
InChIKeyWZSBGDFMQBUIIQ-UHFFFAOYSA-N
XLogP3.60
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide
CID 70669208
2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide
CID 24831039
2-[3-(methanesulfonamido)phenyl]-N-[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)thiophen-2-yl]acetamide
CID 58655892
N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide
CID 172570951
2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide
CID 134812587
N-fluoro-N-[[3-(2-fluoro-4-pyridinyl)phenyl]methyl]acetamide
CID 174673528
2-[4-(2-fluoro-4-pyridinyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 90988265
2-(4-ethylsulfonylphenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 72548310
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide
CID 86897326
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 88932695

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide?
The IUPAC name of 2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide (CID 70858790) is 2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide is CC(C)(N)S(=O)(=O)c1cccc(CC(=O)Nc2cc(-c3ccnc(F)c3)cs2)c1.
What is the InChIKey of 2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide?
The InChIKey is WZSBGDFMQBUIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S2/c1-20(2,22)29(26,27)16-5-3-4-13(8-16)9-18(25)24-19-11-15(12-28-19)14-6-7-23-17(21)10-14/h3-8,10-12H,9,22H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide?
2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide has a molecular weight of 433.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 70858790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).