2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide

C14H18ClNO2S — CID 94201113

IUPAC2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC[C@H]1CCCCO1
InChIInChI=1S/C14H18ClNO2S/c15-11-4-6-13(7-5-11)19-10-14(17)16-9-12-3-1-2-8-18-12/h4-7,12H,1-3,8-10H2,(H,16,17)/t12-/m1/s1
InChIKeyBWIXWBYJEBDGCJ-GFCCVEGCSA-N
MW299.82 g/mol
LogP3.12
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide (PubChem CID 94201113) has the molecular formula C14H18ClNO2S and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
PubChem CID94201113
Molecular FormulaC14H18ClNO2S
Molecular Weight299.82 g/mol
Exact Mass299.07
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)NC[C@H]1CCCCO1
InChIInChI=1S/C14H18ClNO2S/c15-11-4-6-13(7-5-11)19-10-14(17)16-9-12-3-1-2-8-18-12/h4-7,12H,1-3,8-10H2,(H,16,17)/t12-/m1/s1
InChIKeyBWIXWBYJEBDGCJ-GFCCVEGCSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 95305391
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2610421
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 133200042
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2096628
2-[[2-(4-chlorophenyl)-5-(4-methylphenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51439694
2-[[5-(4-chlorophenyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51467200
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
(2S)-2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 99950366
(E)-3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 825443
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548384
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1281723

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide (CID 94201113) is 2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide is O=C(CSc1ccc(Cl)cc1)NC[C@H]1CCCCO1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
The InChIKey is BWIXWBYJEBDGCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18ClNO2S/c15-11-4-6-13(7-5-11)19-10-14(17)16-9-12-3-1-2-8-18-12/h4-7,12H,1-3,8-10H2,(H,16,17)/t12-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide has a molecular weight of 299.82 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[[(2R)-oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 94201113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).