2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide

C14H19N5OS — CID 3212944

IUPAC2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCCCCn1nnnc1SCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H19N5OS/c1-3-4-8-19-14(16-17-18-19)21-10-13(20)15-12-7-5-6-11(2)9-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,20)
InChIKeyRXCPFMOYRMTOSJ-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.51
Rot. Bonds7

About 2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide

2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 3212944) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID3212944
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCCCCn1nnnc1SCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H19N5OS/c1-3-4-8-19-14(16-17-18-19)21-10-13(20)15-12-7-5-6-11(2)9-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,20)
InChIKeyRXCPFMOYRMTOSJ-UHFFFAOYSA-N
XLogP2.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide (CID 3212944) is 2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide is CCCCn1nnnc1SCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is RXCPFMOYRMTOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-3-4-8-19-14(16-17-18-19)21-10-13(20)15-12-7-5-6-11(2)9-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,20).
What are the key properties of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide?
2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 305.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 3212944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).