N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide

C14H19N5OS — CID 3212943

IUPACN-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide
SMILESCCCCn1nnnc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C14H19N5OS/c1-2-3-9-19-14(16-17-18-19)21-11-13(20)15-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,15,20)
InChIKeyKENKSRXQWKIIAI-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.88
Rot. Bonds8

About N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide

N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide (PubChem CID 3212943) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide
PubChem CID3212943
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide
SMILESCCCCn1nnnc1SCC(=O)NCc1ccccc1
InChIInChI=1S/C14H19N5OS/c1-2-3-9-19-14(16-17-18-19)21-11-13(20)15-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,15,20)
InChIKeyKENKSRXQWKIIAI-UHFFFAOYSA-N
XLogP1.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide (CID 3212943) is N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide is CCCCn1nnnc1SCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is KENKSRXQWKIIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-2-3-9-19-14(16-17-18-19)21-11-13(20)15-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,15,20).
What are the key properties of N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide?
N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 305.41 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-butyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3212943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).