N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide

C16H11FN2O3S2 — CID 41442446

IUPACN-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C16H11FN2O3S2/c17-11-5-3-10(4-6-11)15(12-2-1-9-23-12)18-16(20)13-7-8-14(24-13)19(21)22/h1-9,15H,(H,18,20)/t15-/m1/s1
InChIKeyCNJVEECLYWOUKH-OAHLLOKOSA-N
MW362.41 g/mol
LogP4.38
Rot. Bonds5

About N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide

N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide (PubChem CID 41442446) has the molecular formula C16H11FN2O3S2 and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide
PubChem CID41442446
Molecular FormulaC16H11FN2O3S2
Molecular Weight362.41 g/mol
Exact Mass362.02
IUPAC NameN-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C16H11FN2O3S2/c17-11-5-3-10(4-6-11)15(12-2-1-9-23-12)18-16(20)13-7-8-14(24-13)19(21)22/h1-9,15H,(H,18,20)/t15-/m1/s1
InChIKeyCNJVEECLYWOUKH-OAHLLOKOSA-N
XLogP4.38
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.38
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]-5-nitrothiophene-2-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide (CID 41442446) is N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide is O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide?
The InChIKey is CNJVEECLYWOUKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H11FN2O3S2/c17-11-5-3-10(4-6-11)15(12-2-1-9-23-12)18-16(20)13-7-8-14(24-13)19(21)22/h1-9,15H,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide?
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-5-nitrothiophene-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 4.38, 5 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]-5-nitrothiophene-2-carboxamide is sourced from PubChem (CID 41442446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).