furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone

C19H22N6O4S — CID 650112

IUPACfuran-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N6O4S/c1-15-4-6-16(7-5-15)30(27,28)14-25-18(20-21-22-25)13-23-8-10-24(11-9-23)19(26)17-3-2-12-29-17/h2-7,12H,8-11,13-14H2,1H3
InChIKeyYSGZEWVOLPYTID-UHFFFAOYSA-N
MW430.49 g/mol
LogP0.96
Rot. Bonds6

About furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 650112) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID650112
Molecular FormulaC19H22N6O4S
Molecular Weight430.49 g/mol
Exact Mass430.14
IUPAC Namefuran-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N6O4S/c1-15-4-6-16(7-5-15)30(27,28)14-25-18(20-21-22-25)13-23-8-10-24(11-9-23)19(26)17-3-2-12-29-17/h2-7,12H,8-11,13-14H2,1H3
InChIKeyYSGZEWVOLPYTID-UHFFFAOYSA-N
XLogP0.96
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone 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

Furan-2-yl-{4-[phenyl-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazin-1-yl}-methanone
CID 646537
Furan-2-yl-{4-[(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-piperazin-1-yl}-methanone
CID 648185
Furan-2-yl-{4-[3-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-methanone
CID 650696
Furan-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-[1-(toluene-4-sulfonylmethyl)-1H-tetrazol-5-ylmethyl]-amine
CID 651400
(4-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 651772
{4-[(2-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 656214
{4-[(4-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 6602650
1-[(1-Tert-butyl-1,2,3,4-tetrazol-5-YL)(phenyl)methyl]-4-(furan-2-carbonyl)piperazine
CID 3208885
Furan-2-yl-(4-{[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperazin-1-yl)-methanone
CID 24792374
1-(2-furanyl)-N-[[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 644648
Furan-2-yl-{4-[1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-methanone
CID 646728
Furan-2-yl-{4-[2-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazin-1-yl}-methanone
CID 648125

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone (CID 650112) is furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is YSGZEWVOLPYTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-15-4-6-16(7-5-15)30(27,28)14-25-18(20-21-22-25)13-23-8-10-24(11-9-23)19(26)17-3-2-12-29-17/h2-7,12H,8-11,13-14H2,1H3.
What are the key properties of furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 430.49 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 650112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).