2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone

C19H23N5O2S — CID 9262749

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCc1cc(C(=O)CSc2nnnn2C2CCCC2)c(C)n1Cc1ccco1
InChIInChI=1S/C19H23N5O2S/c1-13-10-17(14(2)23(13)11-16-8-5-9-26-16)18(25)12-27-19-20-21-22-24(19)15-6-3-4-7-15/h5,8-10,15H,3-4,6-7,11-12H2,1-2H3
InChIKeyVMWKUTGKJWSMPS-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.82
Rot. Bonds7

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone (PubChem CID 9262749) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
PubChem CID9262749
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
SMILESCc1cc(C(=O)CSc2nnnn2C2CCCC2)c(C)n1Cc1ccco1
InChIInChI=1S/C19H23N5O2S/c1-13-10-17(14(2)23(13)11-16-8-5-9-26-16)18(25)12-27-19-20-21-22-24(19)15-6-3-4-7-15/h5,8-10,15H,3-4,6-7,11-12H2,1-2H3
InChIKeyVMWKUTGKJWSMPS-UHFFFAOYSA-N
XLogP3.82
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone (CID 9262749) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone is Cc1cc(C(=O)CSc2nnnn2C2CCCC2)c(C)n1Cc1ccco1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone?
The InChIKey is VMWKUTGKJWSMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-13-10-17(14(2)23(13)11-16-8-5-9-26-16)18(25)12-27-19-20-21-22-24(19)15-6-3-4-7-15/h5,8-10,15H,3-4,6-7,11-12H2,1-2H3.
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone has a molecular weight of 385.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone is sourced from PubChem (CID 9262749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).