N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide

C24H33N5O4S — CID 58760380

IUPACN-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)C1(NC(=O)c2ccncc2)CCCCC1)C(=O)c1noc(SC(C)C)n1
InChIInChI=1S/C24H33N5O4S/c1-15(2)14-18(19(30)20-27-23(33-29-20)34-16(3)4)26-22(32)24(10-6-5-7-11-24)28-21(31)17-8-12-25-13-9-17/h8-9,12-13,15-16,18H,5-7,10-11,14H2,1-4H3,(H,26,32)(H,28,31)/t18-/m0/s1
InChIKeyHXFQRONAQDYJAF-SFHVURJKSA-N
MW487.63 g/mol
LogP3.81
Rot. Bonds10

About N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide

N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide (PubChem CID 58760380) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide
PubChem CID58760380
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC NameN-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)C1(NC(=O)c2ccncc2)CCCCC1)C(=O)c1noc(SC(C)C)n1
InChIInChI=1S/C24H33N5O4S/c1-15(2)14-18(19(30)20-27-23(33-29-20)34-16(3)4)26-22(32)24(10-6-5-7-11-24)28-21(31)17-8-12-25-13-9-17/h8-9,12-13,15-16,18H,5-7,10-11,14H2,1-4H3,(H,26,32)(H,28,31)/t18-/m0/s1
InChIKeyHXFQRONAQDYJAF-SFHVURJKSA-N
XLogP3.81
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide with MolForge

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Related Compounds

4-[(dimethylamino)methyl]-N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]benzamide
CID 58760255
N-[1-[[4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,3,4-oxadiazol-2-yl)pentan-2-yl]carbamoyl]cyclohexyl]-4-(morpholin-4-ylmethyl)benzamide
CID 58760270
N-[1-[[(2S)-1-(5-cyclohexylsulfanyl-1,3,4-oxadiazol-2-yl)-4-methyl-1-oxopentan-2-yl]carbamoyl]cyclohexyl]benzamide
CID 58760198
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
CID 95231374
N-[1-[5-[2-(dimethylamino)ethoxy]-1,2,4-oxadiazol-3-yl]-4-methyl-1-oxopentan-2-yl]isoquinoline-7-carboxamide
CID 10137222
(2S)-2-[[1-[(4-methoxybenzoyl)amino]cyclohexanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 24738018
(2R)-2-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]-4-methylpentanoic acid
CID 119364123
N-[1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]carbamoyl]cyclohexyl]pyrazine-2-carboxamide
CID 10114749
N-[1-[[5-methyl-1-[2-(3-methyl-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,2-dioxohexan-3-yl]carbamoyl]cyclohexyl]benzamide
CID 66784156
N-[1-[5-[2-(dimethylamino)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]-4-methyl-1-oxopentan-2-yl]-1-(3-phenylpropanoylamino)cyclohexane-1-carboxamide;hydrochloride
CID 159430632
N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]furan-3-carboxamide
CID 24875902

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide (CID 58760380) is N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide is CC(C)C[C@H](NC(=O)C1(NC(=O)c2ccncc2)CCCCC1)C(=O)c1noc(SC(C)C)n1.
What is the InChIKey of N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide?
The InChIKey is HXFQRONAQDYJAF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-15(2)14-18(19(30)20-27-23(33-29-20)34-16(3)4)26-22(32)24(10-6-5-7-11-24)28-21(31)17-8-12-25-13-9-17/h8-9,12-13,15-16,18H,5-7,10-11,14H2,1-4H3,(H,26,32)(H,28,31)/t18-/m0/s1.
What are the key properties of N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide?
N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S)-4-methyl-1-oxo-1-(5-propan-2-ylsulfanyl-1,2,4-oxadiazol-3-yl)pentan-2-yl]carbamoyl]cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 58760380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).