N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C21H25N7O3S — CID 55630981

IUPACN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)Cc3ccc(-n4cnnn4)cc3)c2)CC1
InChIInChI=1S/C21H25N7O3S/c1-2-26-10-12-27(13-11-26)32(30,31)20-5-3-4-18(15-20)23-21(29)14-17-6-8-19(9-7-17)28-16-22-24-25-28/h3-9,15-16H,2,10-14H2,1H3,(H,23,29)
InChIKeyLAQQXZRGPTVVCZ-UHFFFAOYSA-N
MW455.54 g/mol
LogP1.17
Rot. Bonds7

About N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 55630981) has the molecular formula C21H25N7O3S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID55630981
Molecular FormulaC21H25N7O3S
Molecular Weight455.54 g/mol
Exact Mass455.17
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)Cc3ccc(-n4cnnn4)cc3)c2)CC1
InChIInChI=1S/C21H25N7O3S/c1-2-26-10-12-27(13-11-26)32(30,31)20-5-3-4-18(15-20)23-21(29)14-17-6-8-19(9-7-17)28-16-22-24-25-28/h3-9,15-16H,2,10-14H2,1H3,(H,23,29)
InChIKeyLAQQXZRGPTVVCZ-UHFFFAOYSA-N
XLogP1.17
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]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-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 37292964
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600606
N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91954160
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55910713
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-3-ylpropanamide
CID 37052401
N-(9-ethylcarbazol-3-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52576497
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 78862634
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55992374
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 39724550
2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 46816110

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 55630981) is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is CCN1CCN(S(=O)(=O)c2cccc(NC(=O)Cc3ccc(-n4cnnn4)cc3)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is LAQQXZRGPTVVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3S/c1-2-26-10-12-27(13-11-26)32(30,31)20-5-3-4-18(15-20)23-21(29)14-17-6-8-19(9-7-17)28-16-22-24-25-28/h3-9,15-16H,2,10-14H2,1H3,(H,23,29).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 455.54 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 55630981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).