1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide

C20H23N5O3S — CID 45190447

IUPAC1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCOc1ccccc1CC(=O)NCCn1cc(C(=O)NC(C)c2cccs2)nn1
InChIInChI=1S/C20H23N5O3S/c1-14(18-8-5-11-29-18)22-20(27)16-13-25(24-23-16)10-9-21-19(26)12-15-6-3-4-7-17(15)28-2/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyWOHOHIHUUYHJSB-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.20
Rot. Bonds9

About 1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide

1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide (PubChem CID 45190447) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
PubChem CID45190447
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCOc1ccccc1CC(=O)NCCn1cc(C(=O)NC(C)c2cccs2)nn1
InChIInChI=1S/C20H23N5O3S/c1-14(18-8-5-11-29-18)22-20(27)16-13-25(24-23-16)10-9-21-19(26)12-15-6-3-4-7-17(15)28-2/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyWOHOHIHUUYHJSB-UHFFFAOYSA-N
XLogP2.20
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(2,2-dimethylpropanoylamino)ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45223370
1-[2-[4-[1-(2-methoxyphenyl)propan-2-yl]piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45229473
2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide
CID 86263615
1-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-N-[(2-fluorophenyl)methyl]triazole-4-carboxamide
CID 26326355
4-[(2-methoxyphenyl)methyl]-N-[(1R)-1-thiophen-2-ylethyl]piperazine-1-carboxamide
CID 124606187
N-(1-thiophen-2-ylethyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18090212
methyl 3-[(1-benzyltriazole-4-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 134033627
4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide
CID 40882617
N-[(2-methoxyphenyl)methyl]-N'-[(1R,2R)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28820820
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-(3-aminobutyl)-2-(2-methoxyphenyl)acetamide;hydrochloride
CID 75369473
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide (CID 45190447) is 1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide is COc1ccccc1CC(=O)NCCn1cc(C(=O)NC(C)c2cccs2)nn1.
What is the InChIKey of 1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The InChIKey is WOHOHIHUUYHJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-14(18-8-5-11-29-18)22-20(27)16-13-25(24-23-16)10-9-21-19(26)12-15-6-3-4-7-17(15)28-2/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 45190447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).