N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide

C13H14N2O3S2 — CID 9151748

IUPACN-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESCC(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H14N2O3S2/c1-10(16)15-9-12(11-4-2-6-14-8-11)20(17,18)13-5-3-7-19-13/h2-8,12H,9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyZTSBIMVXCLBHMA-GFCCVEGCSA-N
MW310.40 g/mol
LogP1.79
Rot. Bonds5

About N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide

N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide (PubChem CID 9151748) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
PubChem CID9151748
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESCC(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H14N2O3S2/c1-10(16)15-9-12(11-4-2-6-14-8-11)20(17,18)13-5-3-7-19-13/h2-8,12H,9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyZTSBIMVXCLBHMA-GFCCVEGCSA-N
XLogP1.79
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]propanamide
CID 9151804
N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152743
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151991
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151928
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]pyridine-3-carboxamide
CID 9152316
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151978
N'-[(2S)-butan-2-yl]-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152784
4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152261
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]ethanesulfonamide
CID 9151636
(E)-3-phenyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]prop-2-enamide
CID 9152454
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9181107

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
The IUPAC name of N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide (CID 9151748) is N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide.
What is the SMILES notation for N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
The canonical SMILES for N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide is CC(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
The InChIKey is ZTSBIMVXCLBHMA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-10(16)15-9-12(11-4-2-6-14-8-11)20(17,18)13-5-3-7-19-13/h2-8,12H,9H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide is sourced from PubChem (CID 9151748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).