N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

C18H28N2O3S — CID 119289106

IUPACN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCCCOc1ccc(C(C)NC(=O)C2CSCN2)cc1OC
InChIInChI=1S/C18H28N2O3S/c1-4-5-6-9-23-16-8-7-14(10-17(16)22-3)13(2)20-18(21)15-11-24-12-19-15/h7-8,10,13,15,19H,4-6,9,11-12H2,1-3H3,(H,20,21)
InChIKeyYGIBMKTVDSTRNP-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.10
Rot. Bonds9

About N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119289106) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119289106
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCCCOc1ccc(C(C)NC(=O)C2CSCN2)cc1OC
InChIInChI=1S/C18H28N2O3S/c1-4-5-6-9-23-16-8-7-14(10-17(16)22-3)13(2)20-18(21)15-11-24-12-19-15/h7-8,10,13,15,19H,4-6,9,11-12H2,1-3H3,(H,20,21)
InChIKeyYGIBMKTVDSTRNP-UHFFFAOYSA-N
XLogP3.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43713408
2-[1-(3-methoxy-4-pentoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974995
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936763
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119289128
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269294
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119272421
N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43699491
N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269386
4-[1-(3-methoxy-4-propoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672678
trans-(1R,2R)-2-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124857094

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 119289106) is N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is CCCCCOc1ccc(C(C)NC(=O)C2CSCN2)cc1OC.
What is the InChIKey of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is YGIBMKTVDSTRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-5-6-9-23-16-8-7-14(10-17(16)22-3)13(2)20-18(21)15-11-24-12-19-15/h7-8,10,13,15,19H,4-6,9,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119289106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).