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

C13H13ClN2O3S2 — CID 9151928

IUPAC2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESO=C(CCl)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H13ClN2O3S2/c14-7-12(17)16-9-11(10-3-1-5-15-8-10)21(18,19)13-4-2-6-20-13/h1-6,8,11H,7,9H2,(H,16,17)/t11-/m1/s1
InChIKeyKNORSTNLJGJKEY-LLVKDONJSA-N
MW344.85 g/mol
LogP2.01
Rot. Bonds6

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

2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide (PubChem CID 9151928) has the molecular formula C13H13ClN2O3S2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
PubChem CID9151928
Molecular FormulaC13H13ClN2O3S2
Molecular Weight344.85 g/mol
Exact Mass344.01
IUPAC Name2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
SMILESO=C(CCl)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H13ClN2O3S2/c14-7-12(17)16-9-11(10-3-1-5-15-8-10)21(18,19)13-4-2-6-20-13/h1-6,8,11H,7,9H2,(H,16,17)/t11-/m1/s1
InChIKeyKNORSTNLJGJKEY-LLVKDONJSA-N
XLogP2.01
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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
N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151991
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]pyridine-3-carboxamide
CID 9152316
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151978
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152261
2-(4-chlorophenoxy)-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 40903674
3-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152253
N'-[(2S)-butan-2-yl]-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152784
(E)-3-phenyl-N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]prop-2-enamide
CID 9152454

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
The IUPAC name of 2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide (CID 9151928) is 2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide is O=C(CCl)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
The InChIKey is KNORSTNLJGJKEY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13ClN2O3S2/c14-7-12(17)16-9-11(10-3-1-5-15-8-10)21(18,19)13-4-2-6-20-13/h1-6,8,11H,7,9H2,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide?
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide has a molecular weight of 344.85 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide is sourced from PubChem (CID 9151928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).