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

C18H26N6OS — CID 52508769

IUPAC(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)[C@@H](Sc1nnnn1C1CCCCC1)C(=O)NCc1cccnc1
InChIInChI=1S/C18H26N6OS/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/h6-7,10-11,13,15-16H,3-5,8-9,12H2,1-2H3,(H,20,25)/t16-/m1/s1
InChIKeyPFLRFFMNMRKYMR-MRXNPFEDSA-N
MW374.51 g/mol
LogP3.01
Rot. Bonds7

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

(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 52508769) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is (2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID52508769
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)[C@@H](Sc1nnnn1C1CCCCC1)C(=O)NCc1cccnc1
InChIInChI=1S/C18H26N6OS/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/h6-7,10-11,13,15-16H,3-5,8-9,12H2,1-2H3,(H,20,25)/t16-/m1/s1
InChIKeyPFLRFFMNMRKYMR-MRXNPFEDSA-N
XLogP3.01
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 51097969
(2R)-3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
CID 52510727
3-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide
CID 47083681
2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 51127851
(2R)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 52514569
(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-(benzylcarbamoyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27097053
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
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide
CID 27047581
(2S)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 52514493

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of (2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 52508769) is (2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide is CC(C)[C@@H](Sc1nnnn1C1CCCCC1)C(=O)NCc1cccnc1.
What is the InChIKey of (2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is PFLRFFMNMRKYMR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N6OS/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/h6-7,10-11,13,15-16H,3-5,8-9,12H2,1-2H3,(H,20,25)/t16-/m1/s1.
What are the key properties of (2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
(2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 374.51 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 52508769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).