N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide

C17H17N5O2S — CID 46377503

IUPACN-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(-n2nnnc2SC)cc1
InChIInChI=1S/C17H17N5O2S/c1-11-4-9-15(24-2)14(10-11)18-16(23)12-5-7-13(8-6-12)22-17(25-3)19-20-21-22/h4-10H,1-3H3,(H,18,23)
InChIKeyBGJFUIPCHDZNPI-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.95
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide

N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide (PubChem CID 46377503) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
PubChem CID46377503
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(-n2nnnc2SC)cc1
InChIInChI=1S/C17H17N5O2S/c1-11-4-9-15(24-2)14(10-11)18-16(23)12-5-7-13(8-6-12)22-17(25-3)19-20-21-22/h4-10H,1-3H3,(H,18,23)
InChIKeyBGJFUIPCHDZNPI-UHFFFAOYSA-N
XLogP2.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide (CID 46377503) is N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide is COc1ccc(C)cc1NC(=O)c1ccc(-n2nnnc2SC)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
The InChIKey is BGJFUIPCHDZNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-11-4-9-15(24-2)14(10-11)18-16(23)12-5-7-13(8-6-12)22-17(25-3)19-20-21-22/h4-10H,1-3H3,(H,18,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide?
N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide has a molecular weight of 355.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(5-methylsulfanyltetrazol-1-yl)benzamide is sourced from PubChem (CID 46377503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).