2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide

C14H18ClNO3S — CID 46996091

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C14H18ClNO3S/c1-18-13-7-19-6-12(13)16-14(17)9-20-8-10-4-2-3-5-11(10)15/h2-5,12-13H,6-9H2,1H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyPFWGZWMAWOOYGS-STQMWFEESA-N
MW315.82 g/mol
LogP2.10
Rot. Bonds6

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

2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide (PubChem CID 46996091) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
PubChem CID46996091
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
SMILESCO[C@H]1COC[C@@H]1NC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C14H18ClNO3S/c1-18-13-7-19-6-12(13)16-14(17)9-20-8-10-4-2-3-5-11(10)15/h2-5,12-13H,6-9H2,1H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyPFWGZWMAWOOYGS-STQMWFEESA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 122560536
N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide
CID 38328922
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 9162762
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91761779
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148096
2-[(2-chlorophenyl)methylsulfanyl]-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132662640
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide
CID 131938136
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 2889769
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446247
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91769076

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide (CID 46996091) is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide is CO[C@H]1COC[C@@H]1NC(=O)CSCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide?
The InChIKey is PFWGZWMAWOOYGS-STQMWFEESA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-18-13-7-19-6-12(13)16-14(17)9-20-8-10-4-2-3-5-11(10)15/h2-5,12-13H,6-9H2,1H3,(H,16,17)/t12-,13-/m0/s1.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide has a molecular weight of 315.82 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3S,4R)-4-methoxyoxolan-3-yl]acetamide is sourced from PubChem (CID 46996091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).