2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide

C19H17ClN2O4S2 — CID 40903674

IUPAC2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H17ClN2O4S2/c20-15-5-7-16(8-6-15)26-13-18(23)22-12-17(14-3-1-9-21-11-14)28(24,25)19-4-2-10-27-19/h1-11,17H,12-13H2,(H,22,23)/t17-/m0/s1
InChIKeyCEHHZKLUJYSVRM-KRWDZBQOSA-N
MW436.94 g/mol
LogP3.51
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide

2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide (PubChem CID 40903674) has the molecular formula C19H17ClN2O4S2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
PubChem CID40903674
Molecular FormulaC19H17ClN2O4S2
Molecular Weight436.94 g/mol
Exact Mass436.03
IUPAC Name2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H17ClN2O4S2/c20-15-5-7-16(8-6-15)26-13-18(23)22-12-17(14-3-1-9-21-11-14)28(24,25)19-4-2-10-27-19/h1-11,17H,12-13H2,(H,22,23)/t17-/m0/s1
InChIKeyCEHHZKLUJYSVRM-KRWDZBQOSA-N
XLogP3.51
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152261
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151928
2-phenoxy-N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9180474
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 40794323
2-(4-chlorophenoxy)-N-[2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]acetamide
CID 16957820
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151748
2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
CID 9151804
3-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152253
N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152743
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151991
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151978
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]pyridine-3-carboxamide
CID 9152316

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide (CID 40903674) is 2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide is O=C(COc1ccc(Cl)cc1)NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
The InChIKey is CEHHZKLUJYSVRM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17ClN2O4S2/c20-15-5-7-16(8-6-15)26-13-18(23)22-12-17(14-3-1-9-21-11-14)28(24,25)19-4-2-10-27-19/h1-11,17H,12-13H2,(H,22,23)/t17-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide has a molecular weight of 436.94 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide is sourced from PubChem (CID 40903674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).