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

C22H20N4OS2 — CID 1319793

IUPACN-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1cccs1
InChIInChI=1S/C22H20N4OS2/c1-26-21(18-13-8-14-28-18)24-25-22(26)29-15-19(27)23-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,20H,15H2,1H3,(H,23,27)
InChIKeyXIERINMQVXRULL-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.54
Rot. Bonds7

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

N-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1319793) has the molecular formula C22H20N4OS2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1319793
Molecular FormulaC22H20N4OS2
Molecular Weight420.56 g/mol
Exact Mass420.11
IUPAC NameN-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1cccs1
InChIInChI=1S/C22H20N4OS2/c1-26-21(18-13-8-14-28-18)24-25-22(26)29-15-19(27)23-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,20H,15H2,1H3,(H,23,27)
InChIKeyXIERINMQVXRULL-UHFFFAOYSA-N
XLogP4.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzhydryl-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-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1319793) is N-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1cccs1.
What is the InChIKey of N-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is XIERINMQVXRULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS2/c1-26-21(18-13-8-14-28-18)24-25-22(26)29-15-19(27)23-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14,20H,15H2,1H3,(H,23,27).
What are the key properties of N-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1319793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).