N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide

C23H20N4O4S2 — CID 92895653

IUPACN-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(N2C[C@@H](c3nc(-c4ccc(NS(=O)(=O)c5cccs5)cc4)no3)CC2=O)cc1
InChIInChI=1S/C23H20N4O4S2/c1-15-4-10-19(11-5-15)27-14-17(13-20(27)28)23-24-22(25-31-23)16-6-8-18(9-7-16)26-33(29,30)21-3-2-12-32-21/h2-12,17,26H,13-14H2,1H3/t17-/m0/s1
InChIKeyUGJYWTXHHRVAGX-KRWDZBQOSA-N
MW480.57 g/mol
LogP4.43
Rot. Bonds6

About N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide

N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide (PubChem CID 92895653) has the molecular formula C23H20N4O4S2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
PubChem CID92895653
Molecular FormulaC23H20N4O4S2
Molecular Weight480.57 g/mol
Exact Mass480.09
IUPAC NameN-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
SMILESCc1ccc(N2C[C@@H](c3nc(-c4ccc(NS(=O)(=O)c5cccs5)cc4)no3)CC2=O)cc1
InChIInChI=1S/C23H20N4O4S2/c1-15-4-10-19(11-5-15)27-14-17(13-20(27)28)23-24-22(25-31-23)16-6-8-18(9-7-16)26-33(29,30)21-3-2-12-32-21/h2-12,17,26H,13-14H2,1H3/t17-/m0/s1
InChIKeyUGJYWTXHHRVAGX-KRWDZBQOSA-N
XLogP4.43
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823113
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
4-chloro-N-[4-[5-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 92895655
N-[4-[5-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 46380460
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
(4R)-1-(4-methoxyphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015060
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42891589
4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 46378623
(4S)-1-(1,3-benzodioxol-5-yl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586113

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide (CID 92895653) is N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide is Cc1ccc(N2C[C@@H](c3nc(-c4ccc(NS(=O)(=O)c5cccs5)cc4)no3)CC2=O)cc1.
What is the InChIKey of N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The InChIKey is UGJYWTXHHRVAGX-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H20N4O4S2/c1-15-4-10-19(11-5-15)27-14-17(13-20(27)28)23-24-22(25-31-23)16-6-8-18(9-7-16)26-33(29,30)21-3-2-12-32-21/h2-12,17,26H,13-14H2,1H3/t17-/m0/s1.
What are the key properties of N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide has a molecular weight of 480.57 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 92895653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).