N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C15H21N5O3S — CID 1169788

IUPACN-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nnnn2CC)c1
InChIInChI=1S/C15H21N5O3S/c1-4-20-15(17-18-19-20)24-10-14(21)16-12-9-11(22-5-2)7-8-13(12)23-6-3/h7-9H,4-6,10H2,1-3H3,(H,16,21)
InChIKeyUUCRNFJNJNBZFW-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.22
Rot. Bonds9

About N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1169788) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID1169788
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nnnn2CC)c1
InChIInChI=1S/C15H21N5O3S/c1-4-20-15(17-18-19-20)24-10-14(21)16-12-9-11(22-5-2)7-8-13(12)23-6-3/h7-9H,4-6,10H2,1-3H3,(H,16,21)
InChIKeyUUCRNFJNJNBZFW-UHFFFAOYSA-N
XLogP2.22
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 1169788) is N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCOc1ccc(OCC)c(NC(=O)CSc2nnnn2CC)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is UUCRNFJNJNBZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-4-20-15(17-18-19-20)24-10-14(21)16-12-9-11(22-5-2)7-8-13(12)23-6-3/h7-9H,4-6,10H2,1-3H3,(H,16,21).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 351.43 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1169788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).