methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen

C20H28N4O4S — CID 159953274

IUPACmethane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen
SMILESC.CSc1nnc(C(=O)CNC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2ccccc2)o1.[H][H]
InChIInChI=1S/C19H22N4O4S.CH4.H2/c1-28-19-23-22-18(27-19)15(24)11-20-17(26)13-9-5-6-10-14(13)21-16(25)12-7-3-2-4-8-12;;/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,20,26)(H,21,25);1H4;1H/t13-,14+;;/m1../s1
InChIKeyOCJUGCPNDDCMMG-BQFBZIMZSA-N
MW420.54 g/mol
LogP2.96
Rot. Bonds7

About methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen

methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen (PubChem CID 159953274) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen.

Molecular Properties

Compound Namemethane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen
PubChem CID159953274
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Namemethane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen
SMILESC.CSc1nnc(C(=O)CNC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2ccccc2)o1.[H][H]
InChIInChI=1S/C19H22N4O4S.CH4.H2/c1-28-19-23-22-18(27-19)15(24)11-20-17(26)13-9-5-6-10-14(13)21-16(25)12-7-3-2-4-8-12;;/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,20,26)(H,21,25);1H4;1H/t13-,14+;;/m1../s1
InChIKeyOCJUGCPNDDCMMG-BQFBZIMZSA-N
XLogP2.96
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen?
The IUPAC name of methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen (CID 159953274) is methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen.
What is the SMILES notation for methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen?
The canonical SMILES for methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen is C.CSc1nnc(C(=O)CNC(=O)[C@@H]2CCCC[C@@H]2NC(=O)c2ccccc2)o1.[H][H].
What is the InChIKey of methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen?
The InChIKey is OCJUGCPNDDCMMG-BQFBZIMZSA-N. The full InChI is InChI=1S/C19H22N4O4S.CH4.H2/c1-28-19-23-22-18(27-19)15(24)11-20-17(26)13-9-5-6-10-14(13)21-16(25)12-7-3-2-4-8-12;;/h2-4,7-8,13-14H,5-6,9-11H2,1H3,(H,20,26)(H,21,25);1H4;1H/t13-,14+;;/m1../s1.
What are the key properties of methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen?
methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen has a molecular weight of 420.54 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[(1S,2R)-2-[[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-2-oxoethyl]carbamoyl]cyclohexyl]benzamide;molecular hydrogen is sourced from PubChem (CID 159953274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).