N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide

C18H15FN2O4S — CID 9155513

IUPACN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C18H15FN2O4S/c19-14-5-7-15(8-6-14)26(23,24)17(13-3-1-9-20-11-13)12-21-18(22)16-4-2-10-25-16/h1-11,17H,12H2,(H,21,22)/t17-/m1/s1
InChIKeyPBHOUIZAWWOASF-QGZVFWFLSA-N
MW374.39 g/mol
LogP2.76
Rot. Bonds6

About N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide

N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide (PubChem CID 9155513) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
PubChem CID9155513
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC NameN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C18H15FN2O4S/c19-14-5-7-15(8-6-14)26(23,24)17(13-3-1-9-20-11-13)12-21-18(22)16-4-2-10-25-16/h1-11,17H,12H2,(H,21,22)/t17-/m1/s1
InChIKeyPBHOUIZAWWOASF-QGZVFWFLSA-N
XLogP2.76
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(phenylsulfonyl)benzyl)furo[2,3-c]pyridine-2-carboxamide
CID 68277935
N-[[4-(3,5-difluorophenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71727683
N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 71818875
N-[[4-(oxan-4-ylsulfonyl)phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 89785082
N-(3-hydroxypropyl-methyl-oxo-lambda6-sulfanylidene)-5-[2-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]ethynyl]pyridine-3-carboxamide
CID 118130068
Furan-2-carboxylic acid (cyclohexylcarbamoyl-pyridin-4-yl-methyl)-(4-fluoro-phenyl)-amide
CID 3191388
Furan-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211640
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211832
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
5-{[(2-methylbenzyl)sulfonyl]methyl}-N-(pyridin-2-ylmethyl)-2-furamide
CID 3235971
5-{[(4-chlorophenyl)sulfonyl]methyl}-N-(pyridin-3-ylmethyl)-2-furamide
CID 3237404
5-{[(3-methylbenzyl)sulfonyl]methyl}-N-(pyridin-3-ylmethyl)-2-furamide
CID 3238668

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide (CID 9155513) is N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide is O=C(NC[C@H](c1cccnc1)S(=O)(=O)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
The InChIKey is PBHOUIZAWWOASF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c19-14-5-7-15(8-6-14)26(23,24)17(13-3-1-9-20-11-13)12-21-18(22)16-4-2-10-25-16/h1-11,17H,12H2,(H,21,22)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide?
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide has a molecular weight of 374.39 g/mol, XLogP of 2.76, 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-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 9155513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).