N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide

C20H17FN2O3S — CID 134020922

IUPACN-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C20H17FN2O3S/c21-15-8-6-14(7-9-15)13-26-17-4-1-3-16(11-17)23-19(24)12-22-20(25)18-5-2-10-27-18/h1-11H,12-13H2,(H,22,25)(H,23,24)
InChIKeyCNIZRAYRSOSUML-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.83
Rot. Bonds7

About N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 134020922) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID134020922
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C20H17FN2O3S/c21-15-8-6-14(7-9-15)13-26-17-4-1-3-16(11-17)23-19(24)12-22-20(25)18-5-2-10-27-18/h1-11H,12-13H2,(H,22,25)(H,23,24)
InChIKeyCNIZRAYRSOSUML-UHFFFAOYSA-N
XLogP3.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-[(3-fluorophenoxy)methyl]anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 38614236
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134020920
(4-fluorophenyl)methyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158551
N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 17476352
N-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31520800
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926
3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55697476
N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518611
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 38325683
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 8942076
N-[2-oxo-2-[2-[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinyl]ethyl]thiophene-2-carboxamide
CID 24538901
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide (CID 134020922) is N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)Nc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is CNIZRAYRSOSUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c21-15-8-6-14(7-9-15)13-26-17-4-1-3-16(11-17)23-19(24)12-22-20(25)18-5-2-10-27-18/h1-11H,12-13H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 134020922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).