2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide

C15H22N6OS — CID 3212954

IUPAC2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
SMILESCCCCn1nnnc1SCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N6OS/c1-4-5-10-21-15(17-18-19-21)23-11-14(22)16-12-6-8-13(9-7-12)20(2)3/h6-9H,4-5,10-11H2,1-3H3,(H,16,22)
InChIKeyLZVGGZQHQWTLHO-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.27
Rot. Bonds8

About 2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide

2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 3212954) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID3212954
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
SMILESCCCCn1nnnc1SCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C15H22N6OS/c1-4-5-10-21-15(17-18-19-21)23-11-14(22)16-12-6-8-13(9-7-12)20(2)3/h6-9H,4-5,10-11H2,1-3H3,(H,16,22)
InChIKeyLZVGGZQHQWTLHO-UHFFFAOYSA-N
XLogP2.27
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide (CID 3212954) is 2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide is CCCCn1nnnc1SCC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is LZVGGZQHQWTLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-4-5-10-21-15(17-18-19-21)23-11-14(22)16-12-6-8-13(9-7-12)20(2)3/h6-9H,4-5,10-11H2,1-3H3,(H,16,22).
What are the key properties of 2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide?
2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 334.45 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 3212954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).