N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C15H21N5OS — CID 9407683

IUPACN-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)N[C@H](C)C(C)C)cc1
InChIInChI=1S/C15H21N5OS/c1-10(2)12(4)16-14(21)9-22-15-17-18-19-20(15)13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3,(H,16,21)/t12-/m1/s1
InChIKeyCEBYXZYSMYWQAC-GFCCVEGCSA-N
MW319.43 g/mol
LogP2.22
Rot. Bonds6

About N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 9407683) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID9407683
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)N[C@H](C)C(C)C)cc1
InChIInChI=1S/C15H21N5OS/c1-10(2)12(4)16-14(21)9-22-15-17-18-19-20(15)13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3,(H,16,21)/t12-/m1/s1
InChIKeyCEBYXZYSMYWQAC-GFCCVEGCSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
N-(6-methylheptan-2-yl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 55398072
N-[(2S)-5-methylhexan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8684772
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2615618
N-tert-butyl-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2615701
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 9073912
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4274871
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9407888
N-(2,6-dibromo-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 35659472
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 18076417
N-(3-ethoxypropyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 17405895

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 9407683) is N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)C(C)C)cc1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is CEBYXZYSMYWQAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10(2)12(4)16-14(21)9-22-15-17-18-19-20(15)13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3,(H,16,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 9407683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).