N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide

C15H18ClNOS — CID 23328186

IUPACN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H18ClNOS/c16-12-3-5-13(6-4-12)19-9-15(18)17-14-8-10-1-2-11(14)7-10/h3-6,10-11,14H,1-2,7-9H2,(H,17,18)/t10-,11-,14+/m1/s1
InChIKeySWHGHAGMKCRYNT-GYSYKLTISA-N
MW295.83 g/mol
LogP3.74
Rot. Bonds4

About N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 23328186) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID23328186
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C15H18ClNOS/c16-12-3-5-13(6-4-12)19-9-15(18)17-14-8-10-1-2-11(14)7-10/h3-6,10-11,14H,1-2,7-9H2,(H,17,18)/t10-,11-,14+/m1/s1
InChIKeySWHGHAGMKCRYNT-GYSYKLTISA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 7030042
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2896571
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylacetamide
CID 18555874
N-(2-bicyclo[2.2.1]heptanyl)-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2977584
N-(2-bicyclo[2.2.1]heptanyl)-3-phenylsulfanylpropanamide
CID 2899831
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 98209551
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-chloro-2-fluorophenyl)methylsulfanyl]acetamide
CID 125058427
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 124832494
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chloro-2-fluorophenyl)acetamide
CID 100581281
2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide (CID 23328186) is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)N[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is SWHGHAGMKCRYNT-GYSYKLTISA-N. The full InChI is InChI=1S/C15H18ClNOS/c16-12-3-5-13(6-4-12)19-9-15(18)17-14-8-10-1-2-11(14)7-10/h3-6,10-11,14H,1-2,7-9H2,(H,17,18)/t10-,11-,14+/m1/s1.
What are the key properties of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 295.83 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 23328186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).