5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

C14H19N7O5S2 — CID 55963055

IUPAC5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESCn1nnnc1SCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1
InChIInChI=1S/C14H19N7O5S2/c1-19-14(16-17-18-19)27-9-4-11(22)20-5-7-21(8-6-20)28(24,25)12-3-2-10(26-12)13(15)23/h2-3H,4-9H2,1H3,(H2,15,23)
InChIKeyDKPRTUNKLUYOSO-UHFFFAOYSA-N
MW429.48 g/mol
LogP-1.08
Rot. Bonds7

About 5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide

5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (PubChem CID 55963055) has the molecular formula C14H19N7O5S2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
PubChem CID55963055
Molecular FormulaC14H19N7O5S2
Molecular Weight429.48 g/mol
Exact Mass429.09
IUPAC Name5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESCn1nnnc1SCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1
InChIInChI=1S/C14H19N7O5S2/c1-19-14(16-17-18-19)27-9-4-11(22)20-5-7-21(8-6-20)28(24,25)12-3-2-10(26-12)13(15)23/h2-3H,4-9H2,1H3,(H2,15,23)
InChIKeyDKPRTUNKLUYOSO-UHFFFAOYSA-N
XLogP-1.08
TPSA157.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The IUPAC name of 5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide (CID 55963055) is 5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is Cn1nnnc1SCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1.
What is the InChIKey of 5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
The InChIKey is DKPRTUNKLUYOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O5S2/c1-19-14(16-17-18-19)27-9-4-11(22)20-5-7-21(8-6-20)28(24,25)12-3-2-10(26-12)13(15)23/h2-3H,4-9H2,1H3,(H2,15,23).
What are the key properties of 5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide?
5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide has a molecular weight of 429.48 g/mol, XLogP of -1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide is sourced from PubChem (CID 55963055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).