N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

C14H20N4O3S — CID 118780951

IUPACN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1ccc(CSC)o1
InChIInChI=1S/C14H20N4O3S/c1-10(13-17-15-9-18(13)6-7-20-2)16-14(19)12-5-4-11(21-12)8-22-3/h4-5,9-10H,6-8H2,1-3H3,(H,16,19)
InChIKeyBENJMSBVOKVMJX-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.87
Rot. Bonds8

About N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 118780951) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID118780951
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1ccc(CSC)o1
InChIInChI=1S/C14H20N4O3S/c1-10(13-17-15-9-18(13)6-7-20-2)16-14(19)12-5-4-11(21-12)8-22-3/h4-5,9-10H,6-8H2,1-3H3,(H,16,19)
InChIKeyBENJMSBVOKVMJX-UHFFFAOYSA-N
XLogP1.87
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 125177563
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443313
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443312
6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
CID 125170254
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99958080
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70767304
methyl 3-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]butanoate
CID 113219425
2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 118794327
N-(1-hydroxy-3-methylbutan-2-yl)-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 79253016
2-acetamido-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 121494830
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97123084

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 118780951) is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is COCCn1cnnc1C(C)NC(=O)c1ccc(CSC)o1.
What is the InChIKey of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is BENJMSBVOKVMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-10(13-17-15-9-18(13)6-7-20-2)16-14(19)12-5-4-11(21-12)8-22-3/h4-5,9-10H,6-8H2,1-3H3,(H,16,19).
What are the key properties of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 118780951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).