N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H12ClN5O2S — CID 738733

IUPACN-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nnnn1C
InChIInChI=1S/C11H12ClN5O2S/c1-17-11(14-15-16-17)20-6-10(18)13-8-5-7(12)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,13,18)
InChIKeyPBZRZXXQHWDNDK-UHFFFAOYSA-N
MW313.77 g/mol
LogP1.60
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 738733) has the molecular formula C11H12ClN5O2S and a molecular weight of 313.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID738733
Molecular FormulaC11H12ClN5O2S
Molecular Weight313.77 g/mol
Exact Mass313.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nnnn1C
InChIInChI=1S/C11H12ClN5O2S/c1-17-11(14-15-16-17)20-6-10(18)13-8-5-7(12)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,13,18)
InChIKeyPBZRZXXQHWDNDK-UHFFFAOYSA-N
XLogP1.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 738733) is N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1nnnn1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is PBZRZXXQHWDNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2S/c1-17-11(14-15-16-17)20-6-10(18)13-8-5-7(12)3-4-9(8)19-2/h3-5H,6H2,1-2H3,(H,13,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 313.77 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 738733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).