N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide

C15H21N5OS — CID 43049377

IUPACN-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
SMILESCC(C)C(C)NC(=O)CSCc1nnnn1-c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-11(2)12(3)16-15(21)10-22-9-14-17-18-19-20(14)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,21)
InChIKeyFVWOGBABHQJFMA-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.06
Rot. Bonds7

About N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide

N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide (PubChem CID 43049377) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
PubChem CID43049377
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
SMILESCC(C)C(C)NC(=O)CSCc1nnnn1-c1ccccc1
InChIInChI=1S/C15H21N5OS/c1-11(2)12(3)16-15(21)10-22-9-14-17-18-19-20(14)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,21)
InChIKeyFVWOGBABHQJFMA-UHFFFAOYSA-N
XLogP2.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 13208288
N-[(5-ethylthiophen-2-yl)methyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 87046366
N-methyl-N-phenyl-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 78815853
N-(3-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide
CID 46572374
4-methyl-3-[(1-phenyltetrazol-5-yl)methyl]pentan-2-one
CID 79417789
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43394593
N-[(2R)-3-methylbutan-2-yl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 9407683
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-N-prop-2-enylpropanamide
CID 42892245
2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 112780782
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide (CID 43049377) is N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide is CC(C)C(C)NC(=O)CSCc1nnnn1-c1ccccc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
The InChIKey is FVWOGBABHQJFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11(2)12(3)16-15(21)10-22-9-14-17-18-19-20(14)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,16,21).
What are the key properties of N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide?
N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 43049377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).