N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H22N4O2S — CID 646060

IUPACN-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C
InChIInChI=1S/C15H22N4O2S/c1-4-7-19-14(11(2)3)17-18-15(19)22-10-13(20)16-9-12-6-5-8-21-12/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,16,20)
InChIKeyMTFWJRMJNYKNOW-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.81
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 646060) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID646060
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C
InChIInChI=1S/C15H22N4O2S/c1-4-7-19-14(11(2)3)17-18-15(19)22-10-13(20)16-9-12-6-5-8-21-12/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,16,20)
InChIKeyMTFWJRMJNYKNOW-UHFFFAOYSA-N
XLogP2.81
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 646060) is N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MTFWJRMJNYKNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-4-7-19-14(11(2)3)17-18-15(19)22-10-13(20)16-9-12-6-5-8-21-12/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,16,20).
What are the key properties of N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 646060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).