N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

C24H20FN3O4S2 — CID 17431718

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C24H20FN3O4S2/c25-19-8-7-16(14-23(19)34(30,31)28-9-11-32-12-10-28)26-24(29)18-15-21(22-6-3-13-33-22)27-20-5-2-1-4-17(18)20/h1-8,13-15H,9-12H2,(H,26,29)
InChIKeyKDNVIKGTPZLSRS-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.38
Rot. Bonds5

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 17431718) has the molecular formula C24H20FN3O4S2 and a molecular weight of 497.57 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID17431718
Molecular FormulaC24H20FN3O4S2
Molecular Weight497.57 g/mol
Exact Mass497.09
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C24H20FN3O4S2/c25-19-8-7-16(14-23(19)34(30,31)28-9-11-32-12-10-28)26-24(29)18-15-21(22-6-3-13-33-22)27-20-5-2-1-4-17(18)20/h1-8,13-15H,9-12H2,(H,26,29)
InChIKeyKDNVIKGTPZLSRS-UHFFFAOYSA-N
XLogP4.38
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2444020
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4989292
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 75400675
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316246
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24503051
2-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 25499771
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-1-ylacetamide
CID 18158882
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2395138

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 17431718) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is KDNVIKGTPZLSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S2/c25-19-8-7-16(14-23(19)34(30,31)28-9-11-32-12-10-28)26-24(29)18-15-21(22-6-3-13-33-22)27-20-5-2-1-4-17(18)20/h1-8,13-15H,9-12H2,(H,26,29).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 17431718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).