2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide

C17H23ClN2O3S — CID 122560536

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
SMILESO=C(CSCc1ccccc1Cl)N[C@H]1COC[C@@H]1N1CCOCC1
InChIInChI=1S/C17H23ClN2O3S/c18-14-4-2-1-3-13(14)11-24-12-17(21)19-15-9-23-10-16(15)20-5-7-22-8-6-20/h1-4,15-16H,5-12H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyGMZRHKRPWDSKEH-HOTGVXAUSA-N
MW370.90 g/mol
LogP1.79
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide (PubChem CID 122560536) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
PubChem CID122560536
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
SMILESO=C(CSCc1ccccc1Cl)N[C@H]1COC[C@@H]1N1CCOCC1
InChIInChI=1S/C17H23ClN2O3S/c18-14-4-2-1-3-13(14)11-24-12-17(21)19-15-9-23-10-16(15)20-5-7-22-8-6-20/h1-4,15-16H,5-12H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyGMZRHKRPWDSKEH-HOTGVXAUSA-N
XLogP1.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
CID 46996091
N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 91792898
N-[(3S,4S)-4-morpholin-4-yloxolan-3-yl]-2-(4-phenylphenyl)acetamide
CID 133265705
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148096
2-(2-hydroxyphenoxy)-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 122561904
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446247
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91769076
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 118773864
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
CID 122560557
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91761779
acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 154905942
2-(1,2-benzoxazol-3-yl)-N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 133260546

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide (CID 122560536) is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide is O=C(CSCc1ccccc1Cl)N[C@H]1COC[C@@H]1N1CCOCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide?
The InChIKey is GMZRHKRPWDSKEH-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/c18-14-4-2-1-3-13(14)11-24-12-17(21)19-15-9-23-10-16(15)20-5-7-22-8-6-20/h1-4,15-16H,5-12H2,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide has a molecular weight of 370.90 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide is sourced from PubChem (CID 122560536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).