N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

C18H19N5O4S — CID 1018661

IUPACN-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H19N5O4S/c1-25-13-6-4-12(5-7-13)23-18(20-21-22-23)28-11-17(24)19-15-9-8-14(26-2)10-16(15)27-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyPSUPWSKJNPHHRR-UHFFFAOYSA-N
MW401.45 g/mol
LogP2.42
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1018661) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1018661
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nnnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H19N5O4S/c1-25-13-6-4-12(5-7-13)23-18(20-21-22-23)28-11-17(24)19-15-9-8-14(26-2)10-16(15)27-3/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyPSUPWSKJNPHHRR-UHFFFAOYSA-N
XLogP2.42
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide (CID 1018661) is N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is PSUPWSKJNPHHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-25-13-6-4-12(5-7-13)23-18(20-21-22-23)28-11-17(24)19-15-9-8-14(26-2)10-16(15)27-3/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 401.45 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1018661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).