2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide

C18H28N8O4S2 — CID 4845048

IUPAC2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
SMILESNn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1SCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C18H28N8O4S2/c19-26-17(31-9-13(27)22-15(29)20-11-5-1-2-6-11)24-25-18(26)32-10-14(28)23-16(30)21-12-7-3-4-8-12/h11-12H,1-10,19H2,(H2,20,22,27,29)(H2,21,23,28,30)
InChIKeyPPACWLHXHVHRBL-UHFFFAOYSA-N
MW484.61 g/mol
LogP0.71
Rot. Bonds8

About 2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide

2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 4845048) has the molecular formula C18H28N8O4S2 and a molecular weight of 484.61 g/mol. Its IUPAC name is 2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
PubChem CID4845048
Molecular FormulaC18H28N8O4S2
Molecular Weight484.61 g/mol
Exact Mass484.17
IUPAC Name2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
SMILESNn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1SCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C18H28N8O4S2/c19-26-17(31-9-13(27)22-15(29)20-11-5-1-2-6-11)24-25-18(26)32-10-14(28)23-16(30)21-12-7-3-4-8-12/h11-12H,1-10,19H2,(H2,20,22,27,29)(H2,21,23,28,30)
InChIKeyPPACWLHXHVHRBL-UHFFFAOYSA-N
XLogP0.71
TPSA173.13 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 50.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide with MolForge

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Related Compounds

2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 7845143
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 7845385
2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 2648584
2-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 7398034
N-(cyclopentylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 27139236
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 60733718
N-(cyclohexylcarbamoyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17439419
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241
N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9373190
N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 7415704
ethyl 2-[5-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate
CID 9387498
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide (CID 4845048) is 2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide is Nn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1SCC(=O)NC(=O)NC1CCCC1.
What is the InChIKey of 2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is PPACWLHXHVHRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8O4S2/c19-26-17(31-9-13(27)22-15(29)20-11-5-1-2-6-11)24-25-18(26)32-10-14(28)23-16(30)21-12-7-3-4-8-12/h11-12H,1-10,19H2,(H2,20,22,27,29)(H2,21,23,28,30).
What are the key properties of 2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 484.61 g/mol, XLogP of 0.71, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 4845048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).