2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide

C17H25N5O3S — CID 131942103

IUPAC2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCOCC1CCCN1S(=O)(=O)NCc1nncn1CCc1ccccc1
InChIInChI=1S/C17H25N5O3S/c1-25-13-16-8-5-10-22(16)26(23,24)19-12-17-20-18-14-21(17)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13H2,1H3
InChIKeyVJZHFAWPSKSBJD-UHFFFAOYSA-N
MW379.49 g/mol
LogP0.97
Rot. Bonds9

About 2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide

2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide (PubChem CID 131942103) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide
PubChem CID131942103
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide
SMILESCOCC1CCCN1S(=O)(=O)NCc1nncn1CCc1ccccc1
InChIInChI=1S/C17H25N5O3S/c1-25-13-16-8-5-10-22(16)26(23,24)19-12-17-20-18-14-21(17)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13H2,1H3
InChIKeyVJZHFAWPSKSBJD-UHFFFAOYSA-N
XLogP0.97
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of 2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide (CID 131942103) is 2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for 2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for 2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide is COCC1CCCN1S(=O)(=O)NCc1nncn1CCc1ccccc1.
What is the InChIKey of 2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide?
The InChIKey is VJZHFAWPSKSBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-25-13-16-8-5-10-22(16)26(23,24)19-12-17-20-18-14-21(17)11-9-15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13H2,1H3.
What are the key properties of 2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide?
2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide has a molecular weight of 379.49 g/mol, XLogP of 0.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 131942103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).