N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C21H30N4OS2 — CID 1313460

IUPACN,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccs1
InChIInChI=1S/C21H30N4OS2/c1-24-20(18-13-8-14-27-18)22-23-21(24)28-15-19(26)25(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h8,13-14,16-17H,2-7,9-12,15H2,1H3
InChIKeyQKIVUKASSOEDPJ-UHFFFAOYSA-N
MW418.63 g/mol
LogP5.13
Rot. Bonds6

About N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1313460) has the molecular formula C21H30N4OS2 and a molecular weight of 418.63 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1313460
Molecular FormulaC21H30N4OS2
Molecular Weight418.63 g/mol
Exact Mass418.19
IUPAC NameN,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccs1
InChIInChI=1S/C21H30N4OS2/c1-24-20(18-13-8-14-27-18)22-23-21(24)28-15-19(26)25(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h8,13-14,16-17H,2-7,9-12,15H2,1H3
InChIKeyQKIVUKASSOEDPJ-UHFFFAOYSA-N
XLogP5.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1313460) is N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccs1.
What is the InChIKey of N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is QKIVUKASSOEDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS2/c1-24-20(18-13-8-14-27-18)22-23-21(24)28-15-19(26)25(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h8,13-14,16-17H,2-7,9-12,15H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 418.63 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1313460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).