N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide

C20H26N2O3S — CID 47516128

IUPACN-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)CCSCc1ccccn1
InChIInChI=1S/C20H26N2O3S/c1-3-4-12-25-19-9-8-17(24-2)14-18(19)22-20(23)10-13-26-15-16-7-5-6-11-21-16/h5-9,11,14H,3-4,10,12-13,15H2,1-2H3,(H,22,23)
InChIKeyDJANTWBDKNBRJV-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.53
Rot. Bonds11

About N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide

N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide (PubChem CID 47516128) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
PubChem CID47516128
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)CCSCc1ccccn1
InChIInChI=1S/C20H26N2O3S/c1-3-4-12-25-19-9-8-17(24-2)14-18(19)22-20(23)10-13-26-15-16-7-5-6-11-21-16/h5-9,11,14H,3-4,10,12-13,15H2,1-2H3,(H,22,23)
InChIKeyDJANTWBDKNBRJV-UHFFFAOYSA-N
XLogP4.53
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.53
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

3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
CID 120608796
N-(2,4-dimethoxyphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23746050
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 55822339
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 119715039
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009
2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 46441550
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride
CID 119715038
N-(2,5-dimethoxyphenyl)-3-(3-pyridin-2-ylazetidin-1-yl)propanamide
CID 91843290

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide (CID 47516128) is N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide is CCCCOc1ccc(OC)cc1NC(=O)CCSCc1ccccn1.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The InChIKey is DJANTWBDKNBRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-3-4-12-25-19-9-8-17(24-2)14-18(19)22-20(23)10-13-26-15-16-7-5-6-11-21-16/h5-9,11,14H,3-4,10,12-13,15H2,1-2H3,(H,22,23).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide has a molecular weight of 374.51 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 47516128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).