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

C17H17N5O2S — CID 1102237

IUPACN-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C17H17N5O2S/c1-24-15-9-7-13(8-10-15)11-18-16(23)12-25-17-19-20-21-22(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyRNNBVMXSMBFHGW-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.08
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1102237) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID1102237
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C17H17N5O2S/c1-24-15-9-7-13(8-10-15)11-18-16(23)12-25-17-19-20-21-22(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,23)
InChIKeyRNNBVMXSMBFHGW-UHFFFAOYSA-N
XLogP2.08
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 1102237) is N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is COc1ccc(CNC(=O)CSc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is RNNBVMXSMBFHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-24-15-9-7-13(8-10-15)11-18-16(23)12-25-17-19-20-21-22(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 355.42 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1102237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).