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

C19H24N2O2S — CID 94816754

IUPACN-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCOc1ccc(CC[C@@H](C)NC(=O)CSCc2ccncc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15(3-4-16-5-7-18(23-2)8-6-16)21-19(22)14-24-13-17-9-11-20-12-10-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyZGWOPYASTZGVEQ-OAHLLOKOSA-N
MW344.48 g/mol
LogP3.46
Rot. Bonds9

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

N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide (PubChem CID 94816754) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
PubChem CID94816754
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCOc1ccc(CC[C@@H](C)NC(=O)CSCc2ccncc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-15(3-4-16-5-7-18(23-2)8-6-16)21-19(22)14-24-13-17-9-11-20-12-10-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyZGWOPYASTZGVEQ-OAHLLOKOSA-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-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 51095218
2-[(4-methoxyphenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 53279539
2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40617650
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-phenylbutan-2-yl)acetamide
CID 20860046
2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 53279533
N-(4-methoxyphenyl)-5-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 92867948
4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81394593
N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 94180156
2-[(4-bromophenyl)methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2971850
N-[4-(4-methoxyphenyl)butan-2-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 51095217
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide (CID 94816754) is N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide is COc1ccc(CC[C@@H](C)NC(=O)CSCc2ccncc2)cc1.
What is the InChIKey of N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The InChIKey is ZGWOPYASTZGVEQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15(3-4-16-5-7-18(23-2)8-6-16)21-19(22)14-24-13-17-9-11-20-12-10-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-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-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 94816754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).