N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide

C19H22N2OS2 — CID 119938875

IUPACN-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H22N2OS2/c22-19(12-16-14-23-11-10-20-16)21-13-15-6-4-5-9-18(15)24-17-7-2-1-3-8-17/h1-9,16,20H,10-14H2,(H,21,22)
InChIKeyFPMIOUIGJFDQEO-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.55
Rot. Bonds6

About N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938875) has the molecular formula C19H22N2OS2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938875
Molecular FormulaC19H22N2OS2
Molecular Weight358.53 g/mol
Exact Mass358.12
IUPAC NameN-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1ccccc1Sc1ccccc1
InChIInChI=1S/C19H22N2OS2/c22-19(12-16-14-23-11-10-20-16)21-13-15-6-4-5-9-18(15)24-17-7-2-1-3-8-17/h1-9,16,20H,10-14H2,(H,21,22)
InChIKeyFPMIOUIGJFDQEO-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119777713
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940864
N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935910
N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119936439
N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119937162
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119935568
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66422898
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
N-[[4-(phenoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936591
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940374

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 119938875) is N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCc1ccccc1Sc1ccccc1.
What is the InChIKey of N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is FPMIOUIGJFDQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS2/c22-19(12-16-14-23-11-10-20-16)21-13-15-6-4-5-9-18(15)24-17-7-2-1-3-8-17/h1-9,16,20H,10-14H2,(H,21,22).
What are the key properties of N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 358.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).