N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide

C17H23FN2O3S — CID 119938950

IUPACN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C17H23FN2O3S/c18-12-3-4-16(23-10-14-2-1-6-22-14)15(8-12)20-17(21)9-13-11-24-7-5-19-13/h3-4,8,13-14,19H,1-2,5-7,9-11H2,(H,20,21)
InChIKeyNDCCWSRSAYMQBU-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.42
Rot. Bonds6

About N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide

N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938950) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938950
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC NameN-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1cc(F)ccc1OCC1CCCO1
InChIInChI=1S/C17H23FN2O3S/c18-12-3-4-16(23-10-14-2-1-6-22-14)15(8-12)20-17(21)9-13-11-24-7-5-19-13/h3-4,8,13-14,19H,1-2,5-7,9-11H2,(H,20,21)
InChIKeyNDCCWSRSAYMQBU-UHFFFAOYSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119937517
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936406
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936367
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173
1-cyclopropyl-3-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95334266
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
N-[5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]thiophene-3-carboxamide
CID 95330766
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119321171
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide
CID 95341792
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 95616102
3-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-methylbutanamide
CID 120500648

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119938950) is N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1cc(F)ccc1OCC1CCCO1.
What is the InChIKey of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is NDCCWSRSAYMQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c18-12-3-4-16(23-10-14-2-1-6-22-14)15(8-12)20-17(21)9-13-11-24-7-5-19-13/h3-4,8,13-14,19H,1-2,5-7,9-11H2,(H,20,21).
What are the key properties of N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 354.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).