N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide

C18H16N2O3S2 — CID 21001981

IUPACN-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
SMILESO=C(NCC(c1cccnc1)S(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C18H16N2O3S2/c21-18(14-6-2-1-3-7-14)20-13-16(15-8-4-10-19-12-15)25(22,23)17-9-5-11-24-17/h1-12,16H,13H2,(H,20,21)
InChIKeyHWPBHPXWZIAQMI-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.09
Rot. Bonds6

About N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide

N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide (PubChem CID 21001981) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
PubChem CID21001981
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC NameN-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide
SMILESO=C(NCC(c1cccnc1)S(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C18H16N2O3S2/c21-18(14-6-2-1-3-7-14)20-13-16(15-8-4-10-19-12-15)25(22,23)17-9-5-11-24-17/h1-12,16H,13H2,(H,20,21)
InChIKeyHWPBHPXWZIAQMI-UHFFFAOYSA-N
XLogP3.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]pyridine-3-carboxamide
CID 9152316
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]thiophene-2-carboxamide
CID 9151991
N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]thiophene-2-carboxamide
CID 9151978
3-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9152253
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
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
2-chloro-N-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9151928
N-(2-methylpropyl)-N'-[(2S)-2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 9152743
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]pyridine-4-carboxamide
CID 9153775
N-[(2R)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]benzamide
CID 9153361

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide?
The IUPAC name of N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide (CID 21001981) is N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide.
What is the SMILES notation for N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide?
The canonical SMILES for N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide is O=C(NCC(c1cccnc1)S(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide?
The InChIKey is HWPBHPXWZIAQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c21-18(14-6-2-1-3-7-14)20-13-16(15-8-4-10-19-12-15)25(22,23)17-9-5-11-24-17/h1-12,16H,13H2,(H,20,21).
What are the key properties of N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide?
N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)benzamide is sourced from PubChem (CID 21001981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).