N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide

C15H22N4O2S — CID 164630867

IUPACN-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
SMILESCCN(C(=O)c1cn(CCOC)nn1)[C@@H](C)Cc1ccsc1
InChIInChI=1S/C15H22N4O2S/c1-4-19(12(2)9-13-5-8-22-11-13)15(20)14-10-18(17-16-14)6-7-21-3/h5,8,10-12H,4,6-7,9H2,1-3H3/t12-/m0/s1
InChIKeyXDDCXYUUHQLKHI-LBPRGKRZSA-N
MW322.43 g/mol
LogP2.08
Rot. Bonds8

About N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide

N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide (PubChem CID 164630867) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
PubChem CID164630867
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
SMILESCCN(C(=O)c1cn(CCOC)nn1)[C@@H](C)Cc1ccsc1
InChIInChI=1S/C15H22N4O2S/c1-4-19(12(2)9-13-5-8-22-11-13)15(20)14-10-18(17-16-14)6-7-21-3/h5,8,10-12H,4,6-7,9H2,1-3H3/t12-/m0/s1
InChIKeyXDDCXYUUHQLKHI-LBPRGKRZSA-N
XLogP2.08
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide?
The IUPAC name of N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide (CID 164630867) is N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide is CCN(C(=O)c1cn(CCOC)nn1)[C@@H](C)Cc1ccsc1.
What is the InChIKey of N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide?
The InChIKey is XDDCXYUUHQLKHI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-4-19(12(2)9-13-5-8-22-11-13)15(20)14-10-18(17-16-14)6-7-21-3/h5,8,10-12H,4,6-7,9H2,1-3H3/t12-/m0/s1.
What are the key properties of N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide?
N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyethyl)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 164630867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).