2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide

C22H19F2NO2S — CID 9046695

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)CSc2ccc(F)cc2F)c2ccccc2)cc1
InChIInChI=1S/C22H19F2NO2S/c1-27-18-10-7-16(8-11-18)22(15-5-3-2-4-6-15)25-21(26)14-28-20-12-9-17(23)13-19(20)24/h2-13,22H,14H2,1H3,(H,25,26)/t22-/m1/s1
InChIKeySQAOQSJUECRPKA-JOCHJYFZSA-N
MW399.46 g/mol
LogP4.97
Rot. Bonds7

About 2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide

2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide (PubChem CID 9046695) has the molecular formula C22H19F2NO2S and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
PubChem CID9046695
Molecular FormulaC22H19F2NO2S
Molecular Weight399.46 g/mol
Exact Mass399.11
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)CSc2ccc(F)cc2F)c2ccccc2)cc1
InChIInChI=1S/C22H19F2NO2S/c1-27-18-10-7-16(8-11-18)22(15-5-3-2-4-6-15)25-21(26)14-28-20-12-9-17(23)13-19(20)24/h2-13,22H,14H2,1H3,(H,25,26)/t22-/m1/s1
InChIKeySQAOQSJUECRPKA-JOCHJYFZSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8565521
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 55387354
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9046433
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
2-(2,4-difluorophenyl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8837208
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997
(2R)-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 103926709
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3-methylpentanoic acid
CID 43241590
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide (CID 9046695) is 2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide is COc1ccc([C@H](NC(=O)CSc2ccc(F)cc2F)c2ccccc2)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
The InChIKey is SQAOQSJUECRPKA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H19F2NO2S/c1-27-18-10-7-16(8-11-18)22(15-5-3-2-4-6-15)25-21(26)14-28-20-12-9-17(23)13-19(20)24/h2-13,22H,14H2,1H3,(H,25,26)/t22-/m1/s1.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide has a molecular weight of 399.46 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 9046695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).