5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide

C15H15ClFNO2S — CID 97428342

IUPAC5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide
SMILESCO[C@@](C)(CNC(=O)c1ccc(Cl)s1)c1ccccc1F
InChIInChI=1S/C15H15ClFNO2S/c1-15(20-2,10-5-3-4-6-11(10)17)9-18-14(19)12-7-8-13(16)21-12/h3-8H,9H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyHHCHSLRISHIVAR-HNNXBMFYSA-N
MW327.81 g/mol
LogP3.83
Rot. Bonds5

About 5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide

5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide (PubChem CID 97428342) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide
PubChem CID97428342
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide
SMILESCO[C@@](C)(CNC(=O)c1ccc(Cl)s1)c1ccccc1F
InChIInChI=1S/C15H15ClFNO2S/c1-15(20-2,10-5-3-4-6-11(10)17)9-18-14(19)12-7-8-13(16)21-12/h3-8H,9H2,1-2H3,(H,18,19)/t15-/m0/s1
InChIKeyHHCHSLRISHIVAR-HNNXBMFYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide (CID 97428342) is 5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide is CO[C@@](C)(CNC(=O)c1ccc(Cl)s1)c1ccccc1F.
What is the InChIKey of 5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide?
The InChIKey is HHCHSLRISHIVAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-15(20-2,10-5-3-4-6-11(10)17)9-18-14(19)12-7-8-13(16)21-12/h3-8H,9H2,1-2H3,(H,18,19)/t15-/m0/s1.
What are the key properties of 5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide?
5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide has a molecular weight of 327.81 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(2-fluorophenyl)-2-methoxypropyl]thiophene-2-carboxamide is sourced from PubChem (CID 97428342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).