(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C20H24N4O2S — CID 8889714

IUPAC(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)o1
InChIInChI=1S/C20H24N4O2S/c1-14-9-5-6-10-16(14)17-22-23-19(26-17)27-15(2)18(25)24(3)20(13-21)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-12H2,1-3H3/t15-/m0/s1
InChIKeyYFLHSYPVQADLNZ-HNNXBMFYSA-N
MW384.51 g/mol
LogP4.21
Rot. Bonds5

About (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 8889714) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID8889714
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)o1
InChIInChI=1S/C20H24N4O2S/c1-14-9-5-6-10-16(14)17-22-23-19(26-17)27-15(2)18(25)24(3)20(13-21)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-12H2,1-3H3/t15-/m0/s1
InChIKeyYFLHSYPVQADLNZ-HNNXBMFYSA-N
XLogP4.21
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8889574
(2R)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 51641173
(2S)-N-cyclopropyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7683068
N-cyclopropyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78524477
(2S)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 40855641
(2R)-2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 40855642
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 46814482
(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8890260
N-(1-cyanocyclohexyl)-N-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7459337
(2R)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide
CID 8889736
(2S)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 7683134
(2S)-1-(3-chlorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 25387483

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 8889714) is (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)o1.
What is the InChIKey of (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is YFLHSYPVQADLNZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-14-9-5-6-10-16(14)17-22-23-19(26-17)27-15(2)18(25)24(3)20(13-21)11-7-4-8-12-20/h5-6,9-10,15H,4,7-8,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 384.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 8889714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).