2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide

C17H22N6OS — CID 46640392

IUPAC2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide
SMILESCC(Sc1nnnn1Cc1ccccc1)C(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C17H22N6OS/c1-12(2)17(4,11-18)19-15(24)13(3)25-16-20-21-22-23(16)10-14-8-6-5-7-9-14/h5-9,12-13H,10H2,1-4H3,(H,19,24)
InChIKeyMEOUSNDMPPFTJJ-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.26
Rot. Bonds7

About 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide

2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide (PubChem CID 46640392) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide
PubChem CID46640392
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide
SMILESCC(Sc1nnnn1Cc1ccccc1)C(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C17H22N6OS/c1-12(2)17(4,11-18)19-15(24)13(3)25-16-20-21-22-23(16)10-14-8-6-5-7-9-14/h5-9,12-13H,10H2,1-4H3,(H,19,24)
InChIKeyMEOUSNDMPPFTJJ-UHFFFAOYSA-N
XLogP2.26
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2504272
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 24520234
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7987020
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7168979
N-(2-cyano-3-methylbutan-2-yl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide
CID 55470443
1-(4-benzylpiperazin-1-yl)-2-(1-benzyltetrazol-5-yl)sulfanylpropan-1-one
CID 24523159
N-(2-cyano-3-methylbutan-2-yl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51244520
N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 51140105
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51270313
1-(1-adamantyl)-2-(1-benzyltetrazol-5-yl)sulfanylpropan-1-one
CID 46640819
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 24520232

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide (CID 46640392) is 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide is CC(Sc1nnnn1Cc1ccccc1)C(=O)NC(C)(C#N)C(C)C.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide?
The InChIKey is MEOUSNDMPPFTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-12(2)17(4,11-18)19-15(24)13(3)25-16-20-21-22-23(16)10-14-8-6-5-7-9-14/h5-9,12-13H,10H2,1-4H3,(H,19,24).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide?
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide has a molecular weight of 358.47 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 46640392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).