2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide

C21H23F2NO2S — CID 9342283

IUPAC2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide
SMILESO=C(CSC1CCCC1)N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H23F2NO2S/c22-21(23)26-17-12-10-16(11-13-17)20(15-6-2-1-3-7-15)24-19(25)14-27-18-8-4-5-9-18/h1-3,6-7,10-13,18,20-21H,4-5,8-9,14H2,(H,24,25)/t20-/m1/s1
InChIKeyJKPHBRODMZEKER-HXUWFJFHSA-N
MW391.48 g/mol
LogP5.17
Rot. Bonds8

About 2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide

2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide (PubChem CID 9342283) has the molecular formula C21H23F2NO2S and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide
PubChem CID9342283
Molecular FormulaC21H23F2NO2S
Molecular Weight391.48 g/mol
Exact Mass391.14
IUPAC Name2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide
SMILESO=C(CSC1CCCC1)N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H23F2NO2S/c22-21(23)26-17-12-10-16(11-13-17)20(15-6-2-1-3-7-15)24-19(25)14-27-18-8-4-5-9-18/h1-3,6-7,10-13,18,20-21H,4-5,8-9,14H2,(H,24,25)/t20-/m1/s1
InChIKeyJKPHBRODMZEKER-HXUWFJFHSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 9202083
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558327
methyl 3-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]sulfanylpropanoate
CID 9344503
ethyl 2-[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]sulfanylacetate
CID 8594821
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8558326
1-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557491
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914596
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] propanoate
CID 9015107
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylphenoxy)acetamide
CID 9012238
N-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8988560
2-cyclopentyl-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 18166406
[2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 9230220

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide (CID 9342283) is 2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide is O=C(CSC1CCCC1)N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide?
The InChIKey is JKPHBRODMZEKER-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23F2NO2S/c22-21(23)26-17-12-10-16(11-13-17)20(15-6-2-1-3-7-15)24-19(25)14-27-18-8-4-5-9-18/h1-3,6-7,10-13,18,20-21H,4-5,8-9,14H2,(H,24,25)/t20-/m1/s1.
What are the key properties of 2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide?
2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]acetamide is sourced from PubChem (CID 9342283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).