2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide

C26H24N2O4S2 — CID 134812587

IUPAC2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3OCc3ccccc3)cs2)cc1
InChIInChI=1S/C26H24N2O4S2/c1-2-34(30,31)22-12-10-19(11-13-22)15-24(29)28-25-16-21(18-33-25)23-9-6-14-27-26(23)32-17-20-7-4-3-5-8-20/h3-14,16,18H,2,15,17H2,1H3,(H,28,29)
InChIKeyRHPSXPWLHPRNOB-UHFFFAOYSA-N
MW492.62 g/mol
LogP5.36
Rot. Bonds9

About 2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide

2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide (PubChem CID 134812587) has the molecular formula C26H24N2O4S2 and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide
PubChem CID134812587
Molecular FormulaC26H24N2O4S2
Molecular Weight492.62 g/mol
Exact Mass492.12
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3OCc3ccccc3)cs2)cc1
InChIInChI=1S/C26H24N2O4S2/c1-2-34(30,31)22-12-10-19(11-13-22)15-24(29)28-25-16-21(18-33-25)23-9-6-14-27-26(23)32-17-20-7-4-3-5-8-20/h3-14,16,18H,2,15,17H2,1H3,(H,28,29)
InChIKeyRHPSXPWLHPRNOB-UHFFFAOYSA-N
XLogP5.36
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134812586
2-(4-ethylsulfanylphenyl)-N-[4-[2-(methoxymethyl)phenyl]thiophen-2-yl]acetamide
CID 142495485
N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285892
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145879
2-(4-ethylsulfonylphenyl)-N-[3-pyridin-2-yl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71285897
N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 78320018
N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285888
N-[4-[2-(difluoromethoxy)phenyl]-3,5-difluorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285710
2-(3-methylphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide
CID 70669208
2-[3-(2-aminopropan-2-ylsulfonyl)phenyl]-N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]acetamide
CID 70858790
2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide
CID 24831039
benzyl N-[(4-ethylsulfonylphenyl)methyl]carbamate
CID 110784595

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide (CID 134812587) is 2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3cccnc3OCc3ccccc3)cs2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide?
The InChIKey is RHPSXPWLHPRNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S2/c1-2-34(30,31)22-12-10-19(11-13-22)15-24(29)28-25-16-21(18-33-25)23-9-6-14-27-26(23)32-17-20-7-4-3-5-8-20/h3-14,16,18H,2,15,17H2,1H3,(H,28,29).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide has a molecular weight of 492.62 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[4-(2-phenylmethoxy-3-pyridinyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 134812587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).