N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide

C18H15ClN2O3S2 — CID 9184177

IUPACN-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H](c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C18H15ClN2O3S2/c19-14-8-6-13(7-9-14)16(26(23,24)17-5-3-11-25-17)12-21-18(22)15-4-1-2-10-20-15/h1-11,16H,12H2,(H,21,22)/t16-/m1/s1
InChIKeyYMUZUNSKAWZDDA-MRXNPFEDSA-N
MW406.92 g/mol
LogP3.74
Rot. Bonds6

About N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide

N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide (PubChem CID 9184177) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide
PubChem CID9184177
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide
SMILESO=C(NC[C@H](c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)c1ccccn1
InChIInChI=1S/C18H15ClN2O3S2/c19-14-8-6-13(7-9-14)16(26(23,24)17-5-3-11-25-17)12-21-18(22)15-4-1-2-10-20-15/h1-11,16H,12H2,(H,21,22)/t16-/m1/s1
InChIKeyYMUZUNSKAWZDDA-MRXNPFEDSA-N
XLogP3.74
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9184130
4-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152261
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9169004
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
4-chloro-N-[(2S)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 7268351
N-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxamide
CID 140674283
4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649058
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 21001981
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-[(2R)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-methylbenzamide
CID 9182326

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide (CID 9184177) is N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide is O=C(NC[C@H](c1ccc(Cl)cc1)S(=O)(=O)c1cccs1)c1ccccn1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide?
The InChIKey is YMUZUNSKAWZDDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c19-14-8-6-13(7-9-14)16(26(23,24)17-5-3-11-25-17)12-21-18(22)15-4-1-2-10-20-15/h1-11,16H,12H2,(H,21,22)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide?
N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide has a molecular weight of 406.92 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-thiophen-2-ylsulfonylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9184177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).