N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

C20H14F4N2O4S — CID 2232244

IUPACN-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)ccc1NC(=O)c1cccs1
InChIInChI=1S/C20H14F4N2O4S/c1-29-11-8-9(5-6-10(11)26-19(27)12-4-3-7-31-12)25-20(28)13-14(21)16(23)18(30-2)17(24)15(13)22/h3-8H,1-2H3,(H,25,28)(H,26,27)
InChIKeyYCEGKPOQKIUJFF-UHFFFAOYSA-N
MW454.40 g/mol
LogP4.83
Rot. Bonds6

About N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide

N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 2232244) has the molecular formula C20H14F4N2O4S and a molecular weight of 454.40 g/mol. Its IUPAC name is N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID2232244
Molecular FormulaC20H14F4N2O4S
Molecular Weight454.40 g/mol
Exact Mass454.06
IUPAC NameN-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)ccc1NC(=O)c1cccs1
InChIInChI=1S/C20H14F4N2O4S/c1-29-11-8-9(5-6-10(11)26-19(27)12-4-3-7-31-12)25-20(28)13-14(21)16(23)18(30-2)17(24)15(13)22/h3-8H,1-2H3,(H,25,28)(H,26,27)
InChIKeyYCEGKPOQKIUJFF-UHFFFAOYSA-N
XLogP4.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide (CID 2232244) is N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is YCEGKPOQKIUJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O4S/c1-29-11-8-9(5-6-10(11)26-19(27)12-4-3-7-31-12)25-20(28)13-14(21)16(23)18(30-2)17(24)15(13)22/h3-8H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide?
N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 454.40 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(2,3,5,6-tetrafluoro-4-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2232244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).