3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide

C20H17F2N3O2S — CID 8869800

IUPAC3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(=O)N/N=C(/C)c3c(F)cccc3F)s2)cc1
InChIInChI=1S/C20H17F2N3O2S/c1-11(18-14(21)4-3-5-15(18)22)24-25-20(26)19-16(23)10-17(28-19)12-6-8-13(27-2)9-7-12/h3-10H,23H2,1-2H3,(H,25,26)/b24-11-
InChIKeyLIPLQHCSLDZCKP-MYKKPKGFSA-N
MW401.44 g/mol
LogP4.44
Rot. Bonds5

About 3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide

3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 8869800) has the molecular formula C20H17F2N3O2S and a molecular weight of 401.44 g/mol. Its IUPAC name is 3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID8869800
Molecular FormulaC20H17F2N3O2S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2cc(N)c(C(=O)N/N=C(/C)c3c(F)cccc3F)s2)cc1
InChIInChI=1S/C20H17F2N3O2S/c1-11(18-14(21)4-3-5-15(18)22)24-25-20(26)19-16(23)10-17(28-19)12-6-8-13(27-2)9-7-12/h3-10H,23H2,1-2H3,(H,25,26)/b24-11-
InChIKeyLIPLQHCSLDZCKP-MYKKPKGFSA-N
XLogP4.44
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(4-methoxyphenyl)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 8870172
3-amino-5-(4-methoxyphenyl)thiophene-2-carbohydrazide
CID 7131039
3-amino-5-(4-methoxyphenyl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]thiophene-2-carboxamide
CID 8869920
3-amino-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869912
N-(2-adamantylideneamino)-3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869859
3-amino-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869947
3-amino-N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8870023
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 24818707
4-amino-3,5,6-trichloro-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]pyridin-1-ium-2-carboxamide
CID 135850551
3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide
CID 8862793

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide (CID 8869800) is 3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2cc(N)c(C(=O)N/N=C(/C)c3c(F)cccc3F)s2)cc1.
What is the InChIKey of 3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is LIPLQHCSLDZCKP-MYKKPKGFSA-N. The full InChI is InChI=1S/C20H17F2N3O2S/c1-11(18-14(21)4-3-5-15(18)22)24-25-20(26)19-16(23)10-17(28-19)12-6-8-13(27-2)9-7-12/h3-10H,23H2,1-2H3,(H,25,26)/b24-11-.
What are the key properties of 3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide?
3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 8869800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).