N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H19ClFN3O2S — CID 119938107

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2S.ClH/c15-10-1-3-11(4-2-10)18-14(20)8-17-13(19)7-12-9-21-6-5-16-12;/h1-4,12,16H,5-9H2,(H,17,19)(H,18,20);1H
InChIKeyFXTQLWIUAKZRTA-UHFFFAOYSA-N
MW347.84 g/mol
LogP1.40
Rot. Bonds5

About N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119938107) has the molecular formula C14H19ClFN3O2S and a molecular weight of 347.84 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119938107
Molecular FormulaC14H19ClFN3O2S
Molecular Weight347.84 g/mol
Exact Mass347.09
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2S.ClH/c15-10-1-3-11(4-2-10)18-14(20)8-17-13(19)7-12-9-21-6-5-16-12;/h1-4,12,16H,5-9H2,(H,17,19)(H,18,20);1H
InChIKeyFXTQLWIUAKZRTA-UHFFFAOYSA-N
XLogP1.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936634
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941203
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 66420248
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119938107) is N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is FXTQLWIUAKZRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S.ClH/c15-10-1-3-11(4-2-10)18-14(20)8-17-13(19)7-12-9-21-6-5-16-12;/h1-4,12,16H,5-9H2,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 347.84 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119938107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).