N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

C24H28N4O6S — CID 100548682

IUPACN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1cccc(-c2noc(CNC(=O)CCc3cc(S(=O)(=O)N4CCCC4)ccc3OC)n2)c1
InChIInChI=1S/C24H28N4O6S/c1-32-19-7-5-6-18(14-19)24-26-23(34-27-24)16-25-22(29)11-8-17-15-20(9-10-21(17)33-2)35(30,31)28-12-3-4-13-28/h5-7,9-10,14-15H,3-4,8,11-13,16H2,1-2H3,(H,25,29)
InChIKeyRFHGMCJWVGSKCT-UHFFFAOYSA-N
MW500.58 g/mol
LogP2.79
Rot. Bonds10

About N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 100548682) has the molecular formula C24H28N4O6S and a molecular weight of 500.58 g/mol. Its IUPAC name is N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID100548682
Molecular FormulaC24H28N4O6S
Molecular Weight500.58 g/mol
Exact Mass500.17
IUPAC NameN-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1cccc(-c2noc(CNC(=O)CCc3cc(S(=O)(=O)N4CCCC4)ccc3OC)n2)c1
InChIInChI=1S/C24H28N4O6S/c1-32-19-7-5-6-18(14-19)24-26-23(34-27-24)16-25-22(29)11-8-17-15-20(9-10-21(17)33-2)35(30,31)28-12-3-4-13-28/h5-7,9-10,14-15H,3-4,8,11-13,16H2,1-2H3,(H,25,29)
InChIKeyRFHGMCJWVGSKCT-UHFFFAOYSA-N
XLogP2.79
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100520339
1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 133167913
(3S)-1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 100672067
N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100542671
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
CID 100730114
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760289
N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100526473
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682965
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
CID 100504157
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(methylsulfamoyl)benzamide
CID 100623554
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100624807

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 100548682) is N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is COc1cccc(-c2noc(CNC(=O)CCc3cc(S(=O)(=O)N4CCCC4)ccc3OC)n2)c1.
What is the InChIKey of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is RFHGMCJWVGSKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6S/c1-32-19-7-5-6-18(14-19)24-26-23(34-27-24)16-25-22(29)11-8-17-15-20(9-10-21(17)33-2)35(30,31)28-12-3-4-13-28/h5-7,9-10,14-15H,3-4,8,11-13,16H2,1-2H3,(H,25,29).
What are the key properties of N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 500.58 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 100548682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).