N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

C14H16ClN5O3S — CID 31405700

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2nnnn2C2CC2)c(OC)cc1Cl
InChIInChI=1S/C14H16ClN5O3S/c1-22-11-6-10(12(23-2)5-9(11)15)16-13(21)7-24-14-17-18-19-20(14)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,21)
InChIKeyZEFZNQRZTKJWNA-UHFFFAOYSA-N
MW369.83 g/mol
LogP2.41
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (PubChem CID 31405700) has the molecular formula C14H16ClN5O3S and a molecular weight of 369.83 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
PubChem CID31405700
Molecular FormulaC14H16ClN5O3S
Molecular Weight369.83 g/mol
Exact Mass369.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2nnnn2C2CC2)c(OC)cc1Cl
InChIInChI=1S/C14H16ClN5O3S/c1-22-11-6-10(12(23-2)5-9(11)15)16-13(21)7-24-14-17-18-19-20(14)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,21)
InChIKeyZEFZNQRZTKJWNA-UHFFFAOYSA-N
XLogP2.41
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (CID 31405700) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is COc1cc(NC(=O)CSc2nnnn2C2CC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZEFZNQRZTKJWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O3S/c1-22-11-6-10(12(23-2)5-9(11)15)16-13(21)7-24-14-17-18-19-20(14)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 369.83 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 31405700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).