N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide

C18H17N5O3S — CID 29345671

IUPACN-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C18H17N5O3S/c1-26-15-10-6-5-9-14(15)23-18(20-21-22-23)27-12-17(25)19-16(24)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,24,25)
InChIKeySBSZYDZPMCZGLP-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.65
Rot. Bonds7

About N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide

N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide (PubChem CID 29345671) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide
PubChem CID29345671
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide
SMILESCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C18H17N5O3S/c1-26-15-10-6-5-9-14(15)23-18(20-21-22-23)27-12-17(25)19-16(24)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,24,25)
InChIKeySBSZYDZPMCZGLP-UHFFFAOYSA-N
XLogP1.65
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide?
The IUPAC name of N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide (CID 29345671) is N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide is COc1ccccc1-n1nnnc1SCC(=O)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide?
The InChIKey is SBSZYDZPMCZGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-26-15-10-6-5-9-14(15)23-18(20-21-22-23)27-12-17(25)19-16(24)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,24,25).
What are the key properties of N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide?
N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide has a molecular weight of 383.43 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]-2-phenylacetamide is sourced from PubChem (CID 29345671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).