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

C22H28N6O4S — CID 650298

IUPACfuran-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H28N6O4S/c1-16(2)20(26-10-12-27(13-11-26)22(29)19-5-4-14-32-19)21-23-24-25-28(21)15-33(30,31)18-8-6-17(3)7-9-18/h4-9,14,16,20H,10-13,15H2,1-3H3
InChIKeyXMEDGJQPOODCEE-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.16
Rot. Bonds7

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

furan-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone (PubChem CID 650298) has the molecular formula C22H28N6O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is furan-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone
PubChem CID650298
Molecular FormulaC22H28N6O4S
Molecular Weight472.57 g/mol
Exact Mass472.19
IUPAC Namefuran-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H28N6O4S/c1-16(2)20(26-10-12-27(13-11-26)22(29)19-5-4-14-32-19)21-23-24-25-28(21)15-33(30,31)18-8-6-17(3)7-9-18/h4-9,14,16,20H,10-13,15H2,1-3H3
InChIKeyXMEDGJQPOODCEE-UHFFFAOYSA-N
XLogP2.16
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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-{[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-methanone
CID 648836
{4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 650097
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-{(4-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655575
{4-[(2-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 656214
(4-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 3209098
{4-[[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-(4-fluoro-phenyl)-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 3209105
Furan-2-yl-{4-[[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-(2-methoxy-phenyl)-methyl]-piperazin-1-yl}-methanone
CID 3209343

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone (CID 650298) is furan-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The InChIKey is XMEDGJQPOODCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4S/c1-16(2)20(26-10-12-27(13-11-26)22(29)19-5-4-14-32-19)21-23-24-25-28(21)15-33(30,31)18-8-6-17(3)7-9-18/h4-9,14,16,20H,10-13,15H2,1-3H3.
What are the key properties of furan-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone has a molecular weight of 472.57 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 650298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).