N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide

C19H28N4O5S — CID 53133928

IUPACN-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
InChIInChI=1S/C19H28N4O5S/c1-4-23(5-2)13-6-12-20-18(24)19-21-17(22-28-19)11-14-29(25,26)16-9-7-15(27-3)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H,20,24)
InChIKeyFVMUUMKYVNARGD-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.56
Rot. Bonds12

About N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide

N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53133928) has the molecular formula C19H28N4O5S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID53133928
Molecular FormulaC19H28N4O5S
Molecular Weight424.52 g/mol
Exact Mass424.18
IUPAC NameN-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
InChIInChI=1S/C19H28N4O5S/c1-4-23(5-2)13-6-12-20-18(24)19-21-17(22-28-19)11-14-29(25,26)16-9-7-15(27-3)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H,20,24)
InChIKeyFVMUUMKYVNARGD-UHFFFAOYSA-N
XLogP1.56
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methoxyphenyl)sulfonylethyl]-N-propyl-1,2,4-oxadiazole-5-carboxamide
CID 53133939
3-[2-(4-methoxyphenyl)sulfonylethyl]-N-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133965
N-benzyl-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133962
N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 95092694
3-[2-(benzenesulfonyl)ethyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133731
3-[2-(4-methoxyphenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133966
3-[2-(4-methylphenyl)sulfonylethyl]-N-(3-propan-2-yloxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133800
3-[2-(4-methylphenyl)sulfonylethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133808
3-[2-(4-methylphenyl)sulfonylethyl]-N-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133810
3-[2-(4-fluorophenyl)sulfonylethyl]-N-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133906
1-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901941
N-[3-(diethylamino)propyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879115

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide (CID 53133928) is N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide is CCN(CC)CCCNC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is FVMUUMKYVNARGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5S/c1-4-23(5-2)13-6-12-20-18(24)19-21-17(22-28-19)11-14-29(25,26)16-9-7-15(27-3)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H,20,24).
What are the key properties of N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 1.56, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53133928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).