2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide

C14H19N5OS — CID 653151

IUPAC2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCCCn1nnnc1SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H19N5OS/c1-3-4-9-19-14(16-17-18-19)21-10-13(20)15-12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,20)
InChIKeyMXAIITREGBUHBN-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.51
Rot. Bonds7

About 2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide

2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 653151) 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-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID653151
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCCCn1nnnc1SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H19N5OS/c1-3-4-9-19-14(16-17-18-19)21-10-13(20)15-12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,20)
InChIKeyMXAIITREGBUHBN-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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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 859344
1-(2,3-Dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 861216
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanone
CID 2810020
2-(4,5-Dimethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-p-tolyl-propionamide
CID 3142728
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
N-tert-Butyl-2-[4-(4-dimethylamino-benzylamino)-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 1017363
2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide (CID 653151) is 2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide is CCCCn1nnnc1SCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is MXAIITREGBUHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-3-4-9-19-14(16-17-18-19)21-10-13(20)15-12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,15,20).
What are the key properties of 2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(1-butyltetrazol-5-yl)sulfanyl-N-(4-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-(4-methylphenyl)acetamide is sourced from PubChem (CID 653151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).