N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

C22H33N5O4S — CID 43054838

IUPACN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)n1
InChIInChI=1S/C22H33N5O4S/c1-4-9-20-24-22(31-25-20)13-12-21(28)23-18-16-17(32(29,30)27(5-2)6-3)10-11-19(18)26-14-7-8-15-26/h10-11,16H,4-9,12-15H2,1-3H3,(H,23,28)
InChIKeyBWEQYLUGBFGLHB-UHFFFAOYSA-N
MW463.60 g/mol
LogP3.22
Rot. Bonds11

About N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide

N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 43054838) has the molecular formula C22H33N5O4S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID43054838
Molecular FormulaC22H33N5O4S
Molecular Weight463.60 g/mol
Exact Mass463.23
IUPAC NameN-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)n1
InChIInChI=1S/C22H33N5O4S/c1-4-9-20-24-22(31-25-20)13-12-21(28)23-18-16-17(32(29,30)27(5-2)6-3)10-11-19(18)26-14-7-8-15-26/h10-11,16H,4-9,12-15H2,1-3H3,(H,23,28)
InChIKeyBWEQYLUGBFGLHB-UHFFFAOYSA-N
XLogP3.22
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 43054838) is N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)n1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is BWEQYLUGBFGLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O4S/c1-4-9-20-24-22(31-25-20)13-12-21(28)23-18-16-17(32(29,30)27(5-2)6-3)10-11-19(18)26-14-7-8-15-26/h10-11,16H,4-9,12-15H2,1-3H3,(H,23,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 463.60 g/mol, XLogP of 3.22, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 43054838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).