2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C17H21N7O2S — CID 9329330

IUPAC2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C17H21N7O2S/c1-11(2)23-15(7-8-18-23)19-16(25)10-27-17-20-21-22-24(17)13-9-12(3)5-6-14(13)26-4/h5-9,11H,10H2,1-4H3,(H,19,25)
InChIKeyQPQCRQQCSNZMGH-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.49
Rot. Bonds7

About 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 9329330) has the molecular formula C17H21N7O2S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID9329330
Molecular FormulaC17H21N7O2S
Molecular Weight387.47 g/mol
Exact Mass387.15
IUPAC Name2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCOc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C17H21N7O2S/c1-11(2)23-15(7-8-18-23)19-16(25)10-27-17-20-21-22-24(17)13-9-12(3)5-6-14(13)26-4/h5-9,11H,10H2,1-4H3,(H,19,25)
InChIKeyQPQCRQQCSNZMGH-UHFFFAOYSA-N
XLogP2.49
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)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-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083203
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16508778
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 46677168
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7856074
N-(2-methoxyethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2608749
2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-[(4-methoxy-3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 44546272
N-(4-acetylphenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2609128
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 2608879
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7856057
N-(2-bromophenyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2609156
methyl 2-[[2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
CID 2609126
N-(5-chloro-2-pyridinyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2460477

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 9329330) is 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide is COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is QPQCRQQCSNZMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2S/c1-11(2)23-15(7-8-18-23)19-16(25)10-27-17-20-21-22-24(17)13-9-12(3)5-6-14(13)26-4/h5-9,11H,10H2,1-4H3,(H,19,25).
What are the key properties of 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 387.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 9329330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).