N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H24N4O4S — CID 110288420

IUPACN-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1nnc(C(CC(C)C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)o1
InChIInChI=1S/C18H24N4O4S/c1-12(2)11-16(18-20-19-13(3)26-18)21-27(24,25)15-8-6-14(7-9-15)22-10-4-5-17(22)23/h6-9,12,16,21H,4-5,10-11H2,1-3H3
InChIKeyGPFUYKIIDSCYDY-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.57
Rot. Bonds7

About N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 110288420) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID110288420
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1nnc(C(CC(C)C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)o1
InChIInChI=1S/C18H24N4O4S/c1-12(2)11-16(18-20-19-13(3)26-18)21-27(24,25)15-8-6-14(7-9-15)22-10-4-5-17(22)23/h6-9,12,16,21H,4-5,10-11H2,1-3H3
InChIKeyGPFUYKIIDSCYDY-UHFFFAOYSA-N
XLogP2.57
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 41200777
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
CID 43886220
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 30386601
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30382255
N-[(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51853447
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28954772
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92684806
N-[(1R)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 29136147
N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51249075

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 110288420) is N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1nnc(C(CC(C)C)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)o1.
What is the InChIKey of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is GPFUYKIIDSCYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-12(2)11-16(18-20-19-13(3)26-18)21-27(24,25)15-8-6-14(7-9-15)22-10-4-5-17(22)23/h6-9,12,16,21H,4-5,10-11H2,1-3H3.
What are the key properties of N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110288420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).