N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C15H26N4O2S — CID 3212537

IUPACN-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOCCn1c(SCC(=O)NC2CCCC2)nnc1C(C)C
InChIInChI=1S/C15H26N4O2S/c1-11(2)14-17-18-15(19(14)8-9-21-3)22-10-13(20)16-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyLCSDNUGIEBQYTM-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.20
Rot. Bonds8

About N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 3212537) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID3212537
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCOCCn1c(SCC(=O)NC2CCCC2)nnc1C(C)C
InChIInChI=1S/C15H26N4O2S/c1-11(2)14-17-18-15(19(14)8-9-21-3)22-10-13(20)16-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyLCSDNUGIEBQYTM-UHFFFAOYSA-N
XLogP2.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 3212537) is N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is COCCn1c(SCC(=O)NC2CCCC2)nnc1C(C)C.
What is the InChIKey of N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is LCSDNUGIEBQYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-11(2)14-17-18-15(19(14)8-9-21-3)22-10-13(20)16-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,16,20).
What are the key properties of N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 326.47 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 3212537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).