N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide

C19H15FN2O4S — CID 9012123

IUPACN-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C19H15FN2O4S/c20-14-5-3-13(4-6-14)19(17-2-1-11-27-17)21-18(23)12-26-16-9-7-15(8-10-16)22(24)25/h1-11,19H,12H2,(H,21,23)/t19-/m1/s1
InChIKeyHHIBRXWQPXVAKG-LJQANCHMSA-N
MW386.40 g/mol
LogP4.08
Rot. Bonds7

About N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide

N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 9012123) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide
PubChem CID9012123
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC NameN-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C19H15FN2O4S/c20-14-5-3-13(4-6-14)19(17-2-1-11-27-17)21-18(23)12-26-16-9-7-15(8-10-16)22(24)25/h1-11,19H,12H2,(H,21,23)/t19-/m1/s1
InChIKeyHHIBRXWQPXVAKG-LJQANCHMSA-N
XLogP4.08
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide (CID 9012123) is N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is HHIBRXWQPXVAKG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c20-14-5-3-13(4-6-14)19(17-2-1-11-27-17)21-18(23)12-26-16-9-7-15(8-10-16)22(24)25/h1-11,19H,12H2,(H,21,23)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide?
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 386.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 9012123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).