N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide

C17H25N5O2S — CID 3240376

IUPACN-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
SMILESCCCCOc1ccccc1NC(=O)CSc1nnnn1C(C)(C)C
InChIInChI=1S/C17H25N5O2S/c1-5-6-11-24-14-10-8-7-9-13(14)18-15(23)12-25-16-19-20-21-22(16)17(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,18,23)
InChIKeyDEXZIPPYYSBQFV-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.34
Rot. Bonds8

About N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide

N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide (PubChem CID 3240376) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
PubChem CID3240376
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC NameN-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
SMILESCCCCOc1ccccc1NC(=O)CSc1nnnn1C(C)(C)C
InChIInChI=1S/C17H25N5O2S/c1-5-6-11-24-14-10-8-7-9-13(14)18-15(23)12-25-16-19-20-21-22(16)17(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,18,23)
InChIKeyDEXZIPPYYSBQFV-UHFFFAOYSA-N
XLogP3.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 847552
2-[1-(2-Fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
CID 1078050
N-(4-butoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2164243
2-(4-Ethyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 864675
2-(5-Ethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1083045
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(2-methoxy-phenyl)-acetamide
CID 1383750
N-(2-methoxyphenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 1976598
N-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573256
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 853705
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
CID 644948
N-(4-Benzyloxy-phenyl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 649645

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide (CID 3240376) is N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide is CCCCOc1ccccc1NC(=O)CSc1nnnn1C(C)(C)C.
What is the InChIKey of N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is DEXZIPPYYSBQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-5-6-11-24-14-10-8-7-9-13(14)18-15(23)12-25-16-19-20-21-22(16)17(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,18,23).
What are the key properties of N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide?
N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 363.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3240376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).