N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide

C19H16FNO4S — CID 110315060

IUPACN-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide
SMILESO=C(NCC(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C19H16FNO4S/c20-15-8-10-16(11-9-15)26(23,24)18(14-5-2-1-3-6-14)13-21-19(22)17-7-4-12-25-17/h1-12,18H,13H2,(H,21,22)
InChIKeyHMAQOKBGVRAZFG-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.36
Rot. Bonds6

About N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide

N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide (PubChem CID 110315060) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide
PubChem CID110315060
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide
SMILESO=C(NCC(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C19H16FNO4S/c20-15-8-10-16(11-9-15)26(23,24)18(14-5-2-1-3-6-14)13-21-19(22)17-7-4-12-25-17/h1-12,18H,13H2,(H,21,22)
InChIKeyHMAQOKBGVRAZFG-UHFFFAOYSA-N
XLogP3.36
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]furan-2-carboxamide
CID 9182290
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315057
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2-phenylacetamide
CID 21002113
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]benzamide
CID 9155547
phenyl N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]carbamate
CID 7268237
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555084
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 7268597
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]furan-2-carboxamide
CID 16928028
3-chloro-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268253
3-chloro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 7268254

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide (CID 110315060) is N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide is O=C(NCC(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide?
The InChIKey is HMAQOKBGVRAZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c20-15-8-10-16(11-9-15)26(23,24)18(14-5-2-1-3-6-14)13-21-19(22)17-7-4-12-25-17/h1-12,18H,13H2,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide?
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 110315060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).