N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C22H19FN6O2S — CID 55811809

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H19FN6O2S/c23-18-7-6-16(29-14-24-26-27-29)12-19(18)25-21(30)20-13-17(15-4-2-1-3-5-15)22(32-20)28-8-10-31-11-9-28/h1-7,12-14H,8-11H2,(H,25,30)
InChIKeyZHJXSJCUHCOEIO-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.62
Rot. Bonds5

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 55811809) has the molecular formula C22H19FN6O2S and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID55811809
Molecular FormulaC22H19FN6O2S
Molecular Weight450.50 g/mol
Exact Mass450.13
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESO=C(Nc1cc(-n2cnnn2)ccc1F)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C22H19FN6O2S/c23-18-7-6-16(29-14-24-26-27-29)12-19(18)25-21(30)20-13-17(15-4-2-1-3-5-15)22(32-20)28-8-10-31-11-9-28/h1-7,12-14H,8-11H2,(H,25,30)
InChIKeyZHJXSJCUHCOEIO-UHFFFAOYSA-N
XLogP3.62
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 24659557
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477
5-morpholin-4-yl-4-phenyl-N-quinolin-8-ylthiophene-2-carboxamide
CID 9291462
N-(benzimidazol-1-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 34335922
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 71881584
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26781521
N-(2-methyl-3-nitrophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26737790
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 63038441
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 55811809) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is O=C(Nc1cc(-n2cnnn2)ccc1F)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is ZHJXSJCUHCOEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2S/c23-18-7-6-16(29-14-24-26-27-29)12-19(18)25-21(30)20-13-17(15-4-2-1-3-5-15)22(32-20)28-8-10-31-11-9-28/h1-7,12-14H,8-11H2,(H,25,30).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55811809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).