N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide

C16H22N2O3S — CID 119939664

IUPACN-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(OC2CCOC2)cc1
InChIInChI=1S/C16H22N2O3S/c19-16(9-13-11-22-8-6-17-13)18-12-1-3-14(4-2-12)21-15-5-7-20-10-15/h1-4,13,15,17H,5-11H2,(H,18,19)
InChIKeyXADNYNHULTZJGU-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.89
Rot. Bonds5

About N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide

N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119939664) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119939664
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(OC2CCOC2)cc1
InChIInChI=1S/C16H22N2O3S/c19-16(9-13-11-22-8-6-17-13)18-12-1-3-14(4-2-12)21-15-5-7-20-10-15/h1-4,13,15,17H,5-11H2,(H,18,19)
InChIKeyXADNYNHULTZJGU-UHFFFAOYSA-N
XLogP1.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(oxolan-3-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119798692
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936367
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940974
2-(cyclopropylmethylamino)-N-[4-(oxolan-3-yloxy)phenyl]acetamide;hydrochloride
CID 119798675
N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939633
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935987
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119939664) is N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc(OC2CCOC2)cc1.
What is the InChIKey of N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is XADNYNHULTZJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(9-13-11-22-8-6-17-13)18-12-1-3-14(4-2-12)21-15-5-7-20-10-15/h1-4,13,15,17H,5-11H2,(H,18,19).
What are the key properties of N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 322.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-3-yloxy)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).