5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide

C20H16BrFN2O3S — CID 52670386

IUPAC5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H16BrFN2O3S/c21-18-10-9-17(28-18)20(26)24-12-19(25)23-11-13-1-5-15(6-2-13)27-16-7-3-14(22)4-8-16/h1-10H,11-12H2,(H,23,25)(H,24,26)
InChIKeyDOQURFUPJCCFCU-UHFFFAOYSA-N
MW463.33 g/mol
LogP4.49
Rot. Bonds7

About 5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide

5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 52670386) has the molecular formula C20H16BrFN2O3S and a molecular weight of 463.33 g/mol. Its IUPAC name is 5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID52670386
Molecular FormulaC20H16BrFN2O3S
Molecular Weight463.33 g/mol
Exact Mass462.00
IUPAC Name5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)s1)NCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H16BrFN2O3S/c21-18-10-9-17(28-18)20(26)24-12-19(25)23-11-13-1-5-15(6-2-13)27-16-7-3-14(22)4-8-16/h1-10H,11-12H2,(H,23,25)(H,24,26)
InChIKeyDOQURFUPJCCFCU-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24553132
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
5-bromo-N-[(4-carbamoylphenyl)methyl]thiophene-2-carboxamide
CID 47098883
5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55825095
5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide
CID 47266709
methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 47300199
5-bromo-N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55960688
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
4-fluoro-N-[2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55947281
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 52670386) is 5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1ccc(Br)s1)NCc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is DOQURFUPJCCFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O3S/c21-18-10-9-17(28-18)20(26)24-12-19(25)23-11-13-1-5-15(6-2-13)27-16-7-3-14(22)4-8-16/h1-10H,11-12H2,(H,23,25)(H,24,26).
What are the key properties of 5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 463.33 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 52670386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).