N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide

C25H22FN3O5S2 — CID 151657673

IUPACN-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(-c4cnco4)s3)C2=O)c(F)c1
InChIInChI=1S/C25H22FN3O5S2/c1-33-21-7-3-2-5-17(21)16-8-9-20(18(26)13-16)29-12-4-6-19(25(29)30)28-36(31,32)24-11-10-23(35-24)22-14-27-15-34-22/h2-3,5,7-11,13-15,19,28H,4,6,12H2,1H3
InChIKeyQVVYTVJTVYFKJH-UHFFFAOYSA-N
MW527.60 g/mol
LogP4.69
Rot. Bonds7

About N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide

N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 151657673) has the molecular formula C25H22FN3O5S2 and a molecular weight of 527.60 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID151657673
Molecular FormulaC25H22FN3O5S2
Molecular Weight527.60 g/mol
Exact Mass527.10
IUPAC NameN-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCOc1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(-c4cnco4)s3)C2=O)c(F)c1
InChIInChI=1S/C25H22FN3O5S2/c1-33-21-7-3-2-5-17(21)16-8-9-20(18(26)13-16)29-12-4-6-19(25(29)30)28-36(31,32)24-11-10-23(35-24)22-14-27-15-34-22/h2-3,5,7-11,13-15,19,28H,4,6,12H2,1H3
InChIKeyQVVYTVJTVYFKJH-UHFFFAOYSA-N
XLogP4.69
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide (CID 151657673) is N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide is COc1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(-c4cnco4)s3)C2=O)c(F)c1.
What is the InChIKey of N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is QVVYTVJTVYFKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O5S2/c1-33-21-7-3-2-5-17(21)16-8-9-20(18(26)13-16)29-12-4-6-19(25(29)30)28-36(31,32)24-11-10-23(35-24)22-14-27-15-34-22/h2-3,5,7-11,13-15,19,28H,4,6,12H2,1H3.
What are the key properties of N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 527.60 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 151657673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).