N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide

C17H18N4OS — CID 56793628

IUPACN-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)Cn1cncn1
InChIInChI=1S/C17H18N4OS/c1-13-7-8-23-17(13)15(9-14-5-3-2-4-6-14)20-16(22)10-21-12-18-11-19-21/h2-8,11-12,15H,9-10H2,1H3,(H,20,22)
InChIKeyYABPMSRLHDXDRR-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.75
Rot. Bonds6

About N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 56793628) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID56793628
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1ccsc1C(Cc1ccccc1)NC(=O)Cn1cncn1
InChIInChI=1S/C17H18N4OS/c1-13-7-8-23-17(13)15(9-14-5-3-2-4-6-14)20-16(22)10-21-12-18-11-19-21/h2-8,11-12,15H,9-10H2,1H3,(H,20,22)
InChIKeyYABPMSRLHDXDRR-UHFFFAOYSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 666727
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CID 51083154
N-benzyl-2-[3-[(2-propylsulfanylacetyl)amino]-1,2,4-triazol-1-yl]acetamide
CID 53550267
N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-3-ethylsulfanylpropanamide
CID 53564765
N-(2-thiophen-3-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53580399
N-[(5-methylthiophen-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53596697
N-methyl-N-(thiophen-2-ylmethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53606460
N-[(5-methylthiophen-2-yl)methyl]-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53609603
N-(2-thiophen-2-ylethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53617370
N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56781106
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 71880411
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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 56793628) is N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide is Cc1ccsc1C(Cc1ccccc1)NC(=O)Cn1cncn1.
What is the InChIKey of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is YABPMSRLHDXDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-13-7-8-23-17(13)15(9-14-5-3-2-4-6-14)20-16(22)10-21-12-18-11-19-21/h2-8,11-12,15H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 326.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 56793628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).