N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide

C23H30N4O4S — CID 42731035

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide
SMILESCCn1c(SCCCCC(=O)NCCc2ccc(OC)c(OC)c2)nnc1-c1ccco1
InChIInChI=1S/C23H30N4O4S/c1-4-27-22(19-8-7-14-31-19)25-26-23(27)32-15-6-5-9-21(28)24-13-12-17-10-11-18(29-2)20(16-17)30-3/h7-8,10-11,14,16H,4-6,9,12-13,15H2,1-3H3,(H,24,28)
InChIKeyGZRFHICAJOKYKI-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.20
Rot. Bonds13

About N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide (PubChem CID 42731035) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide
PubChem CID42731035
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide
SMILESCCn1c(SCCCCC(=O)NCCc2ccc(OC)c(OC)c2)nnc1-c1ccco1
InChIInChI=1S/C23H30N4O4S/c1-4-27-22(19-8-7-14-31-19)25-26-23(27)32-15-6-5-9-21(28)24-13-12-17-10-11-18(29-2)20(16-17)30-3/h7-8,10-11,14,16H,4-6,9,12-13,15H2,1-3H3,(H,24,28)
InChIKeyGZRFHICAJOKYKI-UHFFFAOYSA-N
XLogP4.20
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[5-(furan-2-yl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide
CID 5112238
N-[2-(2,4-dichlorophenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide
CID 42731043
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 653463
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[5-(furan-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16513593
1-(3,4-dimethoxyphenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7265876
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16516527
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 27929327
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 3976453
4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-ol
CID 110931317
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentylacetamide
CID 27929330
3-butylsulfanyl-4-ethyl-5-(furan-2-yl)-1,2,4-triazole
CID 78812877
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide (CID 42731035) is N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide is CCn1c(SCCCCC(=O)NCCc2ccc(OC)c(OC)c2)nnc1-c1ccco1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide?
The InChIKey is GZRFHICAJOKYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-4-27-22(19-8-7-14-31-19)25-26-23(27)32-15-6-5-9-21(28)24-13-12-17-10-11-18(29-2)20(16-17)30-3/h7-8,10-11,14,16H,4-6,9,12-13,15H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide has a molecular weight of 458.58 g/mol, XLogP of 4.20, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]pentanamide is sourced from PubChem (CID 42731035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).