N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide

C23H16FN3O4S2 — CID 58229371

IUPACN-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(-c4cnco4)s3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C23H16FN3O4S2/c1-14-10-20(18-11-15(24)2-7-19(18)26-14)31-17-5-3-16(4-6-17)27-33(28,29)23-9-8-22(32-23)21-12-25-13-30-21/h2-13,27H,1H3
InChIKeyRNBMWUISFLYWRA-UHFFFAOYSA-N
MW481.53 g/mol
LogP5.99
Rot. Bonds6

About N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide

N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide (PubChem CID 58229371) has the molecular formula C23H16FN3O4S2 and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
PubChem CID58229371
Molecular FormulaC23H16FN3O4S2
Molecular Weight481.53 g/mol
Exact Mass481.06
IUPAC NameN-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(-c4cnco4)s3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C23H16FN3O4S2/c1-14-10-20(18-11-15(24)2-7-19(18)26-14)31-17-5-3-16(4-6-17)27-33(28,29)23-9-8-22(32-23)21-12-25-13-30-21/h2-13,27H,1H3
InChIKeyRNBMWUISFLYWRA-UHFFFAOYSA-N
XLogP5.99
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.53
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 44253334
6-Fluoro-benzo[b]thiophene-2-sulfonic acid (1-furo[3,2-b]pyridin-2-ylmethyl-2-oxopyrrolidin3-(S)-yl)-amide
CID 53868377
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-6-(1,3-oxazol-5-yl)pyridine-3-sulfonamide
CID 58541478
2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide
CID 59384886
N-[1-[2-fluoro-4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 151657673
N-(5-methoxyquinolin-8-yl)-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 57836967
5-(1,3-oxazol-5-yl)-N-quinolin-8-ylthiophene-2-sulfonamide
CID 57837088
N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 67819575
2-(2,3-dimethyl-N-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 140028896
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3,5-difluorobenzenesulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 161985361
4-(6-fluoro-2-methylquinolin-4-yl)oxyaniline;N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide;naphthalene-1-sulfonic acid
CID 172854722
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56535060

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide (CID 58229371) is N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide is Cc1cc(Oc2ccc(NS(=O)(=O)c3ccc(-c4cnco4)s3)cc2)c2cc(F)ccc2n1.
What is the InChIKey of N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is RNBMWUISFLYWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O4S2/c1-14-10-20(18-11-15(24)2-7-19(18)26-14)31-17-5-3-16(4-6-17)27-33(28,29)23-9-8-22(32-23)21-12-25-13-30-21/h2-13,27H,1H3.
What are the key properties of N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide?
N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 481.53 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 58229371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).