N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

C19H24N2O2S — CID 51095218

IUPACN-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCOc1ccc(CCC(C)NC(=O)CSCc2ccccn2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15(6-7-16-8-10-18(23-2)11-9-16)21-19(22)14-24-13-17-5-3-4-12-20-17/h3-5,8-12,15H,6-7,13-14H2,1-2H3,(H,21,22)
InChIKeyZBHRLRARBXMJIJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.46
Rot. Bonds9

About N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 51095218) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID51095218
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCOc1ccc(CCC(C)NC(=O)CSCc2ccccn2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15(6-7-16-8-10-18(23-2)11-9-16)21-19(22)14-24-13-17-5-3-4-12-20-17/h3-5,8-12,15H,6-7,13-14H2,1-2H3,(H,21,22)
InChIKeyZBHRLRARBXMJIJ-UHFFFAOYSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 94816754
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40617650
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 20860046
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132654565
2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55825302
N-(4-methoxyphenyl)-5-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 92867948
2-[(4-methoxyphenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 53279539
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120827351
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901648

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 51095218) is N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is COc1ccc(CCC(C)NC(=O)CSCc2ccccn2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is ZBHRLRARBXMJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15(6-7-16-8-10-18(23-2)11-9-16)21-19(22)14-24-13-17-5-3-4-12-20-17/h3-5,8-12,15H,6-7,13-14H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 51095218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).