N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H28N4OS — CID 861926

IUPACN,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28N4OS/c1-20-13-18-19-17(20)23-12-16(22)21(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h13-15H,2-12H2,1H3
InChIKeySLSGEFCYYZLAHG-UHFFFAOYSA-N
MW336.51 g/mol
LogP3.40
Rot. Bonds5

About N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 861926) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID861926
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC NameN,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28N4OS/c1-20-13-18-19-17(20)23-12-16(22)21(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h13-15H,2-12H2,1H3
InChIKeySLSGEFCYYZLAHG-UHFFFAOYSA-N
XLogP3.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 861926) is N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1cnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is SLSGEFCYYZLAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-20-13-18-19-17(20)23-12-16(22)21(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h13-15H,2-12H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 336.51 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 861926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).