N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide

C21H26N2O3S — CID 55822339

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
SMILESCOc1ccc(NC(=O)CCSCc2ccccn2)cc1OC1CCCC1
InChIInChI=1S/C21H26N2O3S/c1-25-19-10-9-16(14-20(19)26-18-7-2-3-8-18)23-21(24)11-13-27-15-17-6-4-5-12-22-17/h4-6,9-10,12,14,18H,2-3,7-8,11,13,15H2,1H3,(H,23,24)
InChIKeyNVVQPUBGGFWOTP-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.67
Rot. Bonds9

About N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide (PubChem CID 55822339) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
PubChem CID55822339
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
SMILESCOc1ccc(NC(=O)CCSCc2ccccn2)cc1OC1CCCC1
InChIInChI=1S/C21H26N2O3S/c1-25-19-10-9-16(14-20(19)26-18-7-2-3-8-18)23-21(24)11-13-27-15-17-6-4-5-12-22-17/h4-6,9-10,12,14,18H,2-3,7-8,11,13,15H2,1H3,(H,23,24)
InChIKeyNVVQPUBGGFWOTP-UHFFFAOYSA-N
XLogP4.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.67
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-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide
CID 31871009
N-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023408
N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55650972
N-(2-butoxy-5-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 47516128
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56567411
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 47517935
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
(3-cyclopentyloxy-4-methoxyphenyl)-pyridin-2-ylmethanone
CID 54358933
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55584992
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 55980499

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide (CID 55822339) is N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide is COc1ccc(NC(=O)CCSCc2ccccn2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
The InChIKey is NVVQPUBGGFWOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-25-19-10-9-16(14-20(19)26-18-7-2-3-8-18)23-21(24)11-13-27-15-17-6-4-5-12-22-17/h4-6,9-10,12,14,18H,2-3,7-8,11,13,15H2,1H3,(H,23,24).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide has a molecular weight of 386.52 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 55822339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).