N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide

C17H18N4O2S — CID 51087309

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
SMILESCCn1cnnc1CNC(=O)c1sc(-c2ccccc2)cc1OC
InChIInChI=1S/C17H18N4O2S/c1-3-21-11-19-20-15(21)10-18-17(22)16-13(23-2)9-14(24-16)12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,18,22)
InChIKeyXVBPSTVFTGUYAL-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.97
Rot. Bonds6

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide (PubChem CID 51087309) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
PubChem CID51087309
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
SMILESCCn1cnnc1CNC(=O)c1sc(-c2ccccc2)cc1OC
InChIInChI=1S/C17H18N4O2S/c1-3-21-11-19-20-15(21)10-18-17(22)16-13(23-2)9-14(24-16)12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,18,22)
InChIKeyXVBPSTVFTGUYAL-UHFFFAOYSA-N
XLogP2.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55851805
3-methoxy-N-[2-(methylamino)propyl]-5-phenylthiophene-2-carboxamide
CID 120831086
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxybenzamide
CID 106301571
N-(2-hydroxy-3,3-dimethylbutyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 71848991
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47210781
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55853551
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60516355
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114170961
N-(3-acetamidophenyl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55834572
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylbenzamide
CID 106301555
4-(aminomethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide;dihydrochloride
CID 119855022
5-amino-2-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301570

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide (CID 51087309) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide is CCn1cnnc1CNC(=O)c1sc(-c2ccccc2)cc1OC.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
The InChIKey is XVBPSTVFTGUYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-21-11-19-20-15(21)10-18-17(22)16-13(23-2)9-14(24-16)12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3,(H,18,22).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 51087309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).