N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C16H24N4O3S — CID 45236575

IUPACN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CC(=O)N(CC3CCCCC3)C2)o1
InChIInChI=1S/C16H24N4O3S/c1-11-18-19-16(23-11)24-10-14(21)17-13-7-15(22)20(9-13)8-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3,(H,17,21)
InChIKeyJLNHBYAUTFXQCU-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.77
Rot. Bonds6

About N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 45236575) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID45236575
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CC(=O)N(CC3CCCCC3)C2)o1
InChIInChI=1S/C16H24N4O3S/c1-11-18-19-16(23-11)24-10-14(21)17-13-7-15(22)20(9-13)8-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3,(H,17,21)
InChIKeyJLNHBYAUTFXQCU-UHFFFAOYSA-N
XLogP1.77
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 26391777
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 45245521
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]but-3-enamide
CID 45195973
N-[(3R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 42393803
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 126446149
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CID 45251623
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45215715
N-cyclohexyl-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4288335
1-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 115576325
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-5-methyl-1H-imidazole-4-carboxamide
CID 56885981
ethyl 3-[[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 45251897
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 45236575) is N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC2CC(=O)N(CC3CCCCC3)C2)o1.
What is the InChIKey of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JLNHBYAUTFXQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-11-18-19-16(23-11)24-10-14(21)17-13-7-15(22)20(9-13)8-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3,(H,17,21).
What are the key properties of N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 352.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 45236575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).