N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide

C28H16F4N2O4S2 — CID 2307498

IUPACN-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(NC(=O)c4cccs4)cc3)c(F)c2F)cc1)c1cccs1
InChIInChI=1S/C28H16F4N2O4S2/c29-21-23(31)26(38-18-11-7-16(8-12-18)34-28(36)20-4-2-14-40-20)24(32)22(30)25(21)37-17-9-5-15(6-10-17)33-27(35)19-3-1-13-39-19/h1-14H,(H,33,35)(H,34,36)
InChIKeyKMQDKIAELJGCGN-UHFFFAOYSA-N
MW584.57 g/mol
LogP8.46
Rot. Bonds8

About N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide

N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide (PubChem CID 2307498) has the molecular formula C28H16F4N2O4S2 and a molecular weight of 584.57 g/mol. Its IUPAC name is N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide
PubChem CID2307498
Molecular FormulaC28H16F4N2O4S2
Molecular Weight584.57 g/mol
Exact Mass584.05
IUPAC NameN-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(NC(=O)c4cccs4)cc3)c(F)c2F)cc1)c1cccs1
InChIInChI=1S/C28H16F4N2O4S2/c29-21-23(31)26(38-18-11-7-16(8-12-18)34-28(36)20-4-2-14-40-20)24(32)22(30)25(21)37-17-9-5-15(6-10-17)33-27(35)19-3-1-13-39-19/h1-14H,(H,33,35)(H,34,36)
InChIKeyKMQDKIAELJGCGN-UHFFFAOYSA-N
XLogP8.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.57
LogP ≤ 58.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-pyrimidin-2-yloxyphenyl)thiophene-2-carboxamide
CID 51173208
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55833588
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
CID 112987822
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[4-(2,3,4-trifluoroanilino)phenyl]thiophene-2-carboxamide
CID 112990152
[4-(thiophene-2-carbonylamino)phenyl] 3-(4-fluorophenyl)propanoate
CID 35624176
N-[4-(2-fluoroanilino)phenyl]thiophene-2-carboxamide
CID 112986746
[4-(thiophene-2-carbonylamino)phenyl] pyridine-4-carboxylate
CID 34734309
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide (CID 2307498) is N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(NC(=O)c4cccs4)cc3)c(F)c2F)cc1)c1cccs1.
What is the InChIKey of N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide?
The InChIKey is KMQDKIAELJGCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F4N2O4S2/c29-21-23(31)26(38-18-11-7-16(8-12-18)34-28(36)20-4-2-14-40-20)24(32)22(30)25(21)37-17-9-5-15(6-10-17)33-27(35)19-3-1-13-39-19/h1-14H,(H,33,35)(H,34,36).
What are the key properties of N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide?
N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide has a molecular weight of 584.57 g/mol, XLogP of 8.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,3,5,6-tetrafluoro-4-[4-(thiophene-2-carbonylamino)phenoxy]phenoxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2307498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).