N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide

C15H21FN2O2S — CID 119940311

IUPACN-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCCCOc1cc(F)ccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C15H21FN2O2S/c1-2-6-20-14-8-11(16)3-4-13(14)18-15(19)9-12-10-21-7-5-17-12/h3-4,8,12,17H,2,5-7,9-10H2,1H3,(H,18,19)
InChIKeyVTCIIQONEWRFJT-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.65
Rot. Bonds6

About N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide

N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119940311) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119940311
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC NameN-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
SMILESCCCOc1cc(F)ccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C15H21FN2O2S/c1-2-6-20-14-8-11(16)3-4-13(14)18-15(19)9-12-10-21-7-5-17-12/h3-4,8,12,17H,2,5-7,9-10H2,1H3,(H,18,19)
InChIKeyVTCIIQONEWRFJT-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66420730
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938950
methyl 3-(difluoromethoxy)-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119939096
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide
CID 119815179
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938692
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935157
1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586475
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119937517
N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-thiomorpholin-3-ylacetamide
CID 119939533
2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
CID 119938248

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide (CID 119940311) is N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide is CCCOc1cc(F)ccc1NC(=O)CC1CSCCN1.
What is the InChIKey of N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is VTCIIQONEWRFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-2-6-20-14-8-11(16)3-4-13(14)18-15(19)9-12-10-21-7-5-17-12/h3-4,8,12,17H,2,5-7,9-10H2,1H3,(H,18,19).
What are the key properties of N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide?
N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 312.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).