2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide

C18H21N5OS2 — CID 8916937

IUPAC2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)CSc1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C18H21N5OS2/c1-4-22(11-15-9-6-10-25-15)16(24)12-26-18-19-20-21-23(18)17-13(2)7-5-8-14(17)3/h5-10H,4,11-12H2,1-3H3
InChIKeyJYZTXQKTGIDARE-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.48
Rot. Bonds7

About 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide

2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8916937) has the molecular formula C18H21N5OS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8916937
Molecular FormulaC18H21N5OS2
Molecular Weight387.53 g/mol
Exact Mass387.12
IUPAC Name2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)CSc1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C18H21N5OS2/c1-4-22(11-15-9-6-10-25-15)16(24)12-26-18-19-20-21-23(18)17-13(2)7-5-8-14(17)3/h5-10H,4,11-12H2,1-3H3
InChIKeyJYZTXQKTGIDARE-UHFFFAOYSA-N
XLogP3.48
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 17460054
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8577236
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 8916923
N-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 16539694
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 8860506
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 7532918
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 8682824
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propan-2-ylacetamide
CID 7660881
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 41290713
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8692883
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-propylacetamide
CID 7660892
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7532777

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide (CID 8916937) is 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)CSc1nnnn1-c1c(C)cccc1C.
What is the InChIKey of 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JYZTXQKTGIDARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS2/c1-4-22(11-15-9-6-10-25-15)16(24)12-26-18-19-20-21-23(18)17-13(2)7-5-8-14(17)3/h5-10H,4,11-12H2,1-3H3.
What are the key properties of 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 387.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8916937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).