N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide

C16H16FNO3S — CID 95330766

IUPACN-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccsc1
InChIInChI=1S/C16H16FNO3S/c17-12-3-4-15(21-9-13-2-1-6-20-13)14(8-12)18-16(19)11-5-7-22-10-11/h3-5,7-8,10,13H,1-2,6,9H2,(H,18,19)/t13-/m1/s1
InChIKeyORSHHZVFQHISEI-CYBMUJFWSA-N
MW321.37 g/mol
LogP3.70
Rot. Bonds5

About N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide

N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide (PubChem CID 95330766) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide
PubChem CID95330766
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccsc1
InChIInChI=1S/C16H16FNO3S/c17-12-3-4-15(21-9-13-2-1-6-20-13)14(8-12)18-16(19)11-5-7-22-10-11/h3-5,7-8,10,13H,1-2,6,9H2,(H,18,19)/t13-/m1/s1
InChIKeyORSHHZVFQHISEI-CYBMUJFWSA-N
XLogP3.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
5-[[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119125471
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
2-(aminomethyl)-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779493
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 56783381
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648
2-(cyclopropylmethyl)-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 126786138
2-[5-fluoro-2-(oxolan-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609356
N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4877901

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide (CID 95330766) is N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide is O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccsc1.
What is the InChIKey of N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide?
The InChIKey is ORSHHZVFQHISEI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16FNO3S/c17-12-3-4-15(21-9-13-2-1-6-20-13)14(8-12)18-16(19)11-5-7-22-10-11/h3-5,7-8,10,13H,1-2,6,9H2,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide?
N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide has a molecular weight of 321.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 95330766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).