N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide

C22H26N6O4S — CID 24981989

IUPACN-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CSc1nnc(-c2ccco2)n1CC
InChIInChI=1S/C22H26N6O4S/c1-4-27(13-19(30)24-17-10-8-16(9-11-17)23-15(3)29)20(31)14-33-22-26-25-21(28(22)5-2)18-7-6-12-32-18/h6-12H,4-5,13-14H2,1-3H3,(H,23,29)(H,24,30)
InChIKeyFDQRHQXXORTOTH-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.10
Rot. Bonds10

About N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide

N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide (PubChem CID 24981989) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
PubChem CID24981989
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC NameN-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CSc1nnc(-c2ccco2)n1CC
InChIInChI=1S/C22H26N6O4S/c1-4-27(13-19(30)24-17-10-8-16(9-11-17)23-15(3)29)20(31)14-33-22-26-25-21(28(22)5-2)18-7-6-12-32-18/h6-12H,4-5,13-14H2,1-3H3,(H,23,29)(H,24,30)
InChIKeyFDQRHQXXORTOTH-UHFFFAOYSA-N
XLogP3.10
TPSA122.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide (CID 24981989) is N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CSc1nnc(-c2ccco2)n1CC.
What is the InChIKey of N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide?
The InChIKey is FDQRHQXXORTOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c1-4-27(13-19(30)24-17-10-8-16(9-11-17)23-15(3)29)20(31)14-33-22-26-25-21(28(22)5-2)18-7-6-12-32-18/h6-12H,4-5,13-14H2,1-3H3,(H,23,29)(H,24,30).
What are the key properties of N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide has a molecular weight of 470.56 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[ethyl-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 24981989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).