3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide

C23H24N8O3S — CID 55463717

IUPAC3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSc2nnnn2-c2c(C)n(C)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C23H24N8O3S/c1-4-24-21(33)16-9-8-10-17(13-16)25-19(32)14-35-23-26-27-28-30(23)20-15(2)29(3)31(22(20)34)18-11-6-5-7-12-18/h5-13H,4,14H2,1-3H3,(H,24,33)(H,25,32)
InChIKeyYEOQJVCJYRYPHV-UHFFFAOYSA-N
MW492.57 g/mol
LogP1.94
Rot. Bonds8

About 3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide

3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide (PubChem CID 55463717) has the molecular formula C23H24N8O3S and a molecular weight of 492.57 g/mol. Its IUPAC name is 3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide
PubChem CID55463717
Molecular FormulaC23H24N8O3S
Molecular Weight492.57 g/mol
Exact Mass492.17
IUPAC Name3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CSc2nnnn2-c2c(C)n(C)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C23H24N8O3S/c1-4-24-21(33)16-9-8-10-17(13-16)25-19(32)14-35-23-26-27-28-30(23)20-15(2)29(3)31(22(20)34)18-11-6-5-7-12-18/h5-13H,4,14H2,1-3H3,(H,24,33)(H,25,32)
InChIKeyYEOQJVCJYRYPHV-UHFFFAOYSA-N
XLogP1.94
TPSA128.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide 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-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1250062
2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 853335
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 3440252
1,5-dimethyl-4-[5-[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyltetrazol-1-yl]-2-phenylpyrazol-3-one
CID 18225511
3-[[2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 8793113
1,5-dimethyl-4-[5-[(4-methylphenyl)methylsulfanyl]tetrazol-1-yl]-2-phenylpyrazol-3-one
CID 17429266
N-ethyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 9200888
1,5-dimethyl-4-[5-[(2-methylphenyl)methylsulfanyl]tetrazol-1-yl]-2-phenylpyrazol-3-one
CID 17416334
3-[[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-ethylbenzamide
CID 27904652
N-(3-acetylphenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2563249
N-ethyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
CID 27971771
N-(3-acetylphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1075024

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide (CID 55463717) is 3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CSc2nnnn2-c2c(C)n(C)n(-c3ccccc3)c2=O)c1.
What is the InChIKey of 3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide?
The InChIKey is YEOQJVCJYRYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O3S/c1-4-24-21(33)16-9-8-10-17(13-16)25-19(32)14-35-23-26-27-28-30(23)20-15(2)29(3)31(22(20)34)18-11-6-5-7-12-18/h5-13H,4,14H2,1-3H3,(H,24,33)(H,25,32).
What are the key properties of 3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide?
3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide has a molecular weight of 492.57 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylacetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 55463717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).