N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide

C13H15N5O2S — CID 656295

IUPACN-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide
SMILESCCn1nnnc1SCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H15N5O2S/c1-3-18-13(15-16-17-18)21-8-12(20)10-4-6-11(7-5-10)14-9(2)19/h4-7H,3,8H2,1-2H3,(H,14,19)
InChIKeyVOKAQHRFCIVGNQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.63
Rot. Bonds6

About N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide

N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide (PubChem CID 656295) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide
PubChem CID656295
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide
SMILESCCn1nnnc1SCC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H15N5O2S/c1-3-18-13(15-16-17-18)21-8-12(20)10-4-6-11(7-5-10)14-9(2)19/h4-7H,3,8H2,1-2H3,(H,14,19)
InChIKeyVOKAQHRFCIVGNQ-UHFFFAOYSA-N
XLogP1.63
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide (CID 656295) is N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide is CCn1nnnc1SCC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
The InChIKey is VOKAQHRFCIVGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-3-18-13(15-16-17-18)21-8-12(20)10-4-6-11(7-5-10)14-9(2)19/h4-7H,3,8H2,1-2H3,(H,14,19).
What are the key properties of N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide?
N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]phenyl]acetamide is sourced from PubChem (CID 656295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).