2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide

C18H19N5O4S — CID 1259985

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nnnn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4S/c1-25-14-9-12(10-15(26-2)17(14)27-3)19-16(24)11-28-18-20-21-22-23(18)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyFGVDEJHBJCXQSM-UHFFFAOYSA-N
MW401.45 g/mol
LogP2.42
Rot. Bonds8

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 1259985) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID1259985
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CSc2nnnn2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4S/c1-25-14-9-12(10-15(26-2)17(14)27-3)19-16(24)11-28-18-20-21-22-23(18)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,24)
InChIKeyFGVDEJHBJCXQSM-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 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide (CID 1259985) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CSc2nnnn2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is FGVDEJHBJCXQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-25-14-9-12(10-15(26-2)17(14)27-3)19-16(24)11-28-18-20-21-22-23(18)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,24).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide 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 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 1259985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).