2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

C16H21N5O2S — CID 3228982

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C16H21N5O2S/c1-11-7-8-14(23-2)13(9-11)17-15(22)10-24-16-18-19-20-21(16)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,22)
InChIKeyXEEURXWXQDYGDQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.84
Rot. Bonds6

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 3228982) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID3228982
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1nnnn1C1CCCC1
InChIInChI=1S/C16H21N5O2S/c1-11-7-8-14(23-2)13(9-11)17-15(22)10-24-16-18-19-20-21(16)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,22)
InChIKeyXEEURXWXQDYGDQ-UHFFFAOYSA-N
XLogP2.84
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)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

2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2559642
2-[(1-Cyclopentyl-1,2,3,4-tetrazol-5-YL)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 3228979
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
CID 1262825
N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 985316
2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
CID 3965153
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
CID 644948
N-(2-Methoxy-phenyl)-2-(5-methyl-4-phenethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 646738
2-[1-(2,5-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 649518
N-(4-Benzyloxy-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649645
N-(2-methoxyphenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 665963
N-(2-methoxyphenyl)-2-{[1-(2-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 1156610

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (CID 3228982) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CSc1nnnn1C1CCCC1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is XEEURXWXQDYGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11-7-8-14(23-2)13(9-11)17-15(22)10-24-16-18-19-20-21(16)12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,22).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 3228982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).