N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C24H31N7O2S — CID 16563965

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCc1cccc(-n2c(SCC(=O)Nc3ccnn3C3CCCC3)nnc2N2CCOCC2)c1
InChIInChI=1S/C24H31N7O2S/c1-2-18-6-5-9-20(16-18)30-23(29-12-14-33-15-13-29)27-28-24(30)34-17-22(32)26-21-10-11-25-31(21)19-7-3-4-8-19/h5-6,9-11,16,19H,2-4,7-8,12-15,17H2,1H3,(H,26,32)
InChIKeyJEIJCLSDLSIGOV-UHFFFAOYSA-N
MW481.63 g/mol
LogP3.71
Rot. Bonds8

About N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 16563965) has the molecular formula C24H31N7O2S and a molecular weight of 481.63 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID16563965
Molecular FormulaC24H31N7O2S
Molecular Weight481.63 g/mol
Exact Mass481.23
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCc1cccc(-n2c(SCC(=O)Nc3ccnn3C3CCCC3)nnc2N2CCOCC2)c1
InChIInChI=1S/C24H31N7O2S/c1-2-18-6-5-9-20(16-18)30-23(29-12-14-33-15-13-29)27-28-24(30)34-17-22(32)26-21-10-11-25-31(21)19-7-3-4-8-19/h5-6,9-11,16,19H,2-4,7-8,12-15,17H2,1H3,(H,26,32)
InChIKeyJEIJCLSDLSIGOV-UHFFFAOYSA-N
XLogP3.71
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 16563965) is N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCc1cccc(-n2c(SCC(=O)Nc3ccnn3C3CCCC3)nnc2N2CCOCC2)c1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is JEIJCLSDLSIGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2S/c1-2-18-6-5-9-20(16-18)30-23(29-12-14-33-15-13-29)27-28-24(30)34-17-22(32)26-21-10-11-25-31(21)19-7-3-4-8-19/h5-6,9-11,16,19H,2-4,7-8,12-15,17H2,1H3,(H,26,32).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 481.63 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 16563965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).