N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide

C19H25N5O3S — CID 2995925

IUPACN-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCCn1c(SCC(=O)N2CCOCC2)nnc1C(C)NC(=O)c1ccccc1
InChIInChI=1S/C19H25N5O3S/c1-3-24-17(14(2)20-18(26)15-7-5-4-6-8-15)21-22-19(24)28-13-16(25)23-9-11-27-12-10-23/h4-8,14H,3,9-13H2,1-2H3,(H,20,26)
InChIKeyDFZAKYDOHXPMBU-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.74
Rot. Bonds7

About N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide

N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide (PubChem CID 2995925) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
PubChem CID2995925
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCCn1c(SCC(=O)N2CCOCC2)nnc1C(C)NC(=O)c1ccccc1
InChIInChI=1S/C19H25N5O3S/c1-3-24-17(14(2)20-18(26)15-7-5-4-6-8-15)21-22-19(24)28-13-16(25)23-9-11-27-12-10-23/h4-8,14H,3,9-13H2,1-2H3,(H,20,26)
InChIKeyDFZAKYDOHXPMBU-UHFFFAOYSA-N
XLogP1.74
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide?
The IUPAC name of N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide (CID 2995925) is N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide is CCn1c(SCC(=O)N2CCOCC2)nnc1C(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide?
The InChIKey is DFZAKYDOHXPMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-3-24-17(14(2)20-18(26)15-7-5-4-6-8-15)21-22-19(24)28-13-16(25)23-9-11-27-12-10-23/h4-8,14H,3,9-13H2,1-2H3,(H,20,26).
What are the key properties of N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide?
N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide has a molecular weight of 403.51 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-ethyl-5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 2995925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).