1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

C20H22N4O2S — CID 134046136

IUPAC1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(c1cn(Cc2ccccc2)nn1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C20H22N4O2S/c25-20(19-15-24(22-21-19)12-16-6-2-1-3-7-16)23(13-17-8-4-10-26-17)14-18-9-5-11-27-18/h1-3,5-7,9,11,15,17H,4,8,10,12-14H2
InChIKeyCARUJEYIRFNLIK-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.21
Rot. Bonds7

About 1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide

1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (PubChem CID 134046136) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
PubChem CID134046136
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(c1cn(Cc2ccccc2)nn1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C20H22N4O2S/c25-20(19-15-24(22-21-19)12-16-6-2-1-3-7-16)23(13-17-8-4-10-26-17)14-18-9-5-11-27-18/h1-3,5-7,9,11,15,17H,4,8,10,12-14H2
InChIKeyCARUJEYIRFNLIK-UHFFFAOYSA-N
XLogP3.21
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 42525623
N-(oxolan-2-ylmethyl)-4-(pyrazol-1-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 134051172
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 56912083
N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 134012194
N-benzyl-2-[(2-chloroacetyl)-[[(2S)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 7351254
(E)-4-oxo-4-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 60953299
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 1059704
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide
CID 4274481
2-chloro-4,5-difluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55521414
N-benzyl-2-[dimethylcarbamoyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 7217168

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide (CID 134046136) is 1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is O=C(c1cn(Cc2ccccc2)nn1)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of 1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is CARUJEYIRFNLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-20(19-15-24(22-21-19)12-16-6-2-1-3-7-16)23(13-17-8-4-10-26-17)14-18-9-5-11-27-18/h1-3,5-7,9,11,15,17H,4,8,10,12-14H2.
What are the key properties of 1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide?
1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 134046136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).