N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C18H19N5O2S — CID 985316

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C18H19N5O2S/c1-25-16-9-7-14(8-10-16)11-12-19-17(24)13-26-18-20-21-22-23(18)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,24)
InChIKeyFPLRMRGLZGLYTI-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.12
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 985316) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID985316
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C18H19N5O2S/c1-25-16-9-7-14(8-10-16)11-12-19-17(24)13-26-18-20-21-22-23(18)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,24)
InChIKeyFPLRMRGLZGLYTI-UHFFFAOYSA-N
XLogP2.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 985316) is N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is COc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is FPLRMRGLZGLYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-25-16-9-7-14(8-10-16)11-12-19-17(24)13-26-18-20-21-22-23(18)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 369.45 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 985316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).