3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide

C26H36N4O3S — CID 67239167

IUPAC3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide
SMILESCCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C26H36N4O3S/c1-3-30(4-2)20-11-21-34(31,32)29-24(18-16-22-12-7-5-8-13-22)26-27-25(28-33-26)19-17-23-14-9-6-10-15-23/h5-10,12-15,24,29H,3-4,11,16-21H2,1-2H3/t24-/m1/s1
InChIKeyCHYRSQOJCQPWJL-XMMPIXPASA-N
MW484.67 g/mol
LogP4.18
Rot. Bonds15

About 3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide

3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide (PubChem CID 67239167) has the molecular formula C26H36N4O3S and a molecular weight of 484.67 g/mol. Its IUPAC name is 3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide
PubChem CID67239167
Molecular FormulaC26H36N4O3S
Molecular Weight484.67 g/mol
Exact Mass484.25
IUPAC Name3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide
SMILESCCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CCc2ccccc2)no1
InChIInChI=1S/C26H36N4O3S/c1-3-30(4-2)20-11-21-34(31,32)29-24(18-16-22-12-7-5-8-13-22)26-27-25(28-33-26)19-17-23-14-9-6-10-15-23/h5-10,12-15,24,29H,3-4,11,16-21H2,1-2H3/t24-/m1/s1
InChIKeyCHYRSQOJCQPWJL-XMMPIXPASA-N
XLogP4.18
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[[5-[(1R)-1-[3-(diethylamino)propylsulfonylamino]-3-phenylpropyl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 67129838
N-[(1R)-1-(3-cyano-1H-1,2,4-triazol-5-yl)-3-phenylpropyl]-3-(diethylamino)propane-1-sulfonamide
CID 67129901
3-(diethylamino)-N-[(1R)-1-[2-methyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]-3-phenylpropyl]propane-1-sulfonamide
CID 67129881
1-[[5-[(1R)-1-[3-(diethylamino)propylsulfonylamino]-3-phenylpropyl]-1-ethyl-1,2,4-triazol-3-yl]methyl]-3-propan-2-ylurea
CID 67129821
N-[(1R)-1-[3-(3-chloro-4-cyanophenyl)-1H-1,2,4-triazol-5-yl]-3-phenylpropyl]-3-(diethylamino)propane-1-sulfonamide
CID 67237324
3-(diethylamino)-N-[(1R)-1-[5-(1H-indol-3-ylmethyl)-1H-1,2,4-triazol-3-yl]-3-phenylpropyl]propane-1-sulfonamide
CID 67241044
3-(diethylamino)-N-[(1R)-1-[5-[(1-methylindol-3-yl)methyl]-1H-1,2,4-triazol-3-yl]-3-phenylpropyl]propane-1-sulfonamide
CID 67129768
3-(diethylamino)-N-[(1R)-1-[3-[1-(2-hydroxyethyl)indol-3-yl]-1H-1,2,4-triazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide
CID 67129874
1-cyclohexyl-3-[[5-[(1R)-1-[3-(diethylamino)propylsulfonylamino]-3-phenylpropyl]-2-ethyl-1,2,4-triazol-3-yl]methyl]urea
CID 67129920
N-benzhydryl-2-(diethylamino)ethanesulfonamide
CID 100762604
N-(1,4-diphenylbutyl)propane-1-sulfonamide
CID 60580802
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685809

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide?
The IUPAC name of 3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide (CID 67239167) is 3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide?
The canonical SMILES for 3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide is CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CCc2ccccc2)no1.
What is the InChIKey of 3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide?
The InChIKey is CHYRSQOJCQPWJL-XMMPIXPASA-N. The full InChI is InChI=1S/C26H36N4O3S/c1-3-30(4-2)20-11-21-34(31,32)29-24(18-16-22-12-7-5-8-13-22)26-27-25(28-33-26)19-17-23-14-9-6-10-15-23/h5-10,12-15,24,29H,3-4,11,16-21H2,1-2H3/t24-/m1/s1.
What are the key properties of 3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide?
3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide has a molecular weight of 484.67 g/mol, XLogP of 4.18, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-[(1R)-3-phenyl-1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propyl]propane-1-sulfonamide is sourced from PubChem (CID 67239167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).