(2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide

C18H20N6OS — CID 52510727

IUPAC(2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C18H20N6OS/c1-13(2)16(17(25)20-12-14-7-6-10-19-11-14)26-18-21-22-23-24(18)15-8-4-3-5-9-15/h3-11,13,16H,12H2,1-2H3,(H,20,25)/t16-/m1/s1
InChIKeyHVMGIXWQFQWPOE-MRXNPFEDSA-N
MW368.47 g/mol
LogP2.49
Rot. Bonds7

About (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide

(2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 52510727) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID52510727
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C18H20N6OS/c1-13(2)16(17(25)20-12-14-7-6-10-19-11-14)26-18-21-22-23-24(18)15-8-4-3-5-9-15/h3-11,13,16H,12H2,1-2H3,(H,20,25)/t16-/m1/s1
InChIKeyHVMGIXWQFQWPOE-MRXNPFEDSA-N
XLogP2.49
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
CID 47083681
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 51097969
(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 52508769
3-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
CID 51127867
(2R)-3-methyl-2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
CID 52518088
2-imidazo[1,5-a]pyridin-3-ylsulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 51097965
(2S)-N-[(4-methylphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274463
3-methyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
CID 51097964
(2R)-3-methyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide
CID 94341800
(2S)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 52514493
(2S)-2-[(3-chloro-2-pyridinyl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 94799215
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 94798488

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide (CID 52510727) is (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide is CC(C)[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NCc1cccnc1.
What is the InChIKey of (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is HVMGIXWQFQWPOE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-13(2)16(17(25)20-12-14-7-6-10-19-11-14)26-18-21-22-23-24(18)15-8-4-3-5-9-15/h3-11,13,16H,12H2,1-2H3,(H,20,25)/t16-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide?
(2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 368.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 52510727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).