N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

C18H22N2O3S — CID 86830228

IUPACN-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCOCCCOc1ccccc1NC(=O)CSCc1cccnc1
InChIInChI=1S/C18H22N2O3S/c1-22-10-5-11-23-17-8-3-2-7-16(17)20-18(21)14-24-13-15-6-4-9-19-12-15/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,20,21)
InChIKeyNDRHAKCLKAYTLX-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.37
Rot. Bonds10

About N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 86830228) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID86830228
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESCOCCCOc1ccccc1NC(=O)CSCc1cccnc1
InChIInChI=1S/C18H22N2O3S/c1-22-10-5-11-23-17-8-3-2-7-16(17)20-18(21)14-24-13-15-6-4-9-19-12-15/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,20,21)
InChIKeyNDRHAKCLKAYTLX-UHFFFAOYSA-N
XLogP3.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 86830197
N-[2-[2-(pyridin-3-ylmethylsulfanyl)ethoxy]phenyl]acetamide
CID 151295883
N-(5-chloro-2,4-dimethoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55666455
N-(4-methoxy-2-pyridinyl)-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 75434522
methyl 4-chloro-3-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoate
CID 55669322
2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54829343
N-[4-(aminomethyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 166227163
2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39000097
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
methyl 2-[2-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 47070400
4-[[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 1412043
4-[3-[2-(3-methoxypropoxy)anilino]-3-oxopropyl]benzoic acid
CID 119182274

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 86830228) is N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is COCCCOc1ccccc1NC(=O)CSCc1cccnc1.
What is the InChIKey of N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is NDRHAKCLKAYTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-10-5-11-23-17-8-3-2-7-16(17)20-18(21)14-24-13-15-6-4-9-19-12-15/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,20,21).
What are the key properties of N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 86830228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).