N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide

C18H22N2O2S — CID 94180156

IUPACN-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCC[C@@H](NC(=O)CSCc1ccncc1)c1ccccc1OC
InChIInChI=1S/C18H22N2O2S/c1-3-16(15-6-4-5-7-17(15)22-2)20-18(21)13-23-12-14-8-10-19-11-9-14/h4-11,16H,3,12-13H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyFXCIENKSQCMSLE-MRXNPFEDSA-N
MW330.45 g/mol
LogP3.59
Rot. Bonds8

About N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide

N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide (PubChem CID 94180156) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
PubChem CID94180156
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCC[C@@H](NC(=O)CSCc1ccncc1)c1ccccc1OC
InChIInChI=1S/C18H22N2O2S/c1-3-16(15-6-4-5-7-17(15)22-2)20-18(21)13-23-12-14-8-10-19-11-9-14/h4-11,16H,3,12-13H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyFXCIENKSQCMSLE-MRXNPFEDSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-phenylbutyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 51963299
3-methyl-2-[[2-(pyridin-4-ylmethylsulfanyl)acetyl]amino]pentanamide
CID 87044822
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
2-[2-[1-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]propyl]phenoxy]-N,N-dimethylacetamide
CID 55900922
N-[1-(3,4-dimethoxyphenyl)propyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 132659077
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
3-chloro-N-[1-(2-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 66484685
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 94816754
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736
2-[(3-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 132659871
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 132652315
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide (CID 94180156) is N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide is CC[C@@H](NC(=O)CSCc1ccncc1)c1ccccc1OC.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The InChIKey is FXCIENKSQCMSLE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-16(15-6-4-5-7-17(15)22-2)20-18(21)13-23-12-14-8-10-19-11-9-14/h4-11,16H,3,12-13H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide?
N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)propyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 94180156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).