N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C23H24N4O3S — CID 92712379

IUPACN-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(N2C[C@@H](c3nnc(SCC(=O)Nc4cc(C)ccc4C)o3)CC2=O)cc1
InChIInChI=1S/C23H24N4O3S/c1-14-5-8-18(9-6-14)27-12-17(11-21(27)29)22-25-26-23(30-22)31-13-20(28)24-19-10-15(2)4-7-16(19)3/h4-10,17H,11-13H2,1-3H3,(H,24,28)/t17-/m0/s1
InChIKeyKKYUYMSZHWMZBW-KRWDZBQOSA-N
MW436.54 g/mol
LogP4.25
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 92712379) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID92712379
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(N2C[C@@H](c3nnc(SCC(=O)Nc4cc(C)ccc4C)o3)CC2=O)cc1
InChIInChI=1S/C23H24N4O3S/c1-14-5-8-18(9-6-14)27-12-17(11-21(27)29)22-25-26-23(30-22)31-13-20(28)24-19-10-15(2)4-7-16(19)3/h4-10,17H,11-13H2,1-3H3,(H,24,28)/t17-/m0/s1
InChIKeyKKYUYMSZHWMZBW-KRWDZBQOSA-N
XLogP4.25
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92712372
N-(2,5-dimethylphenyl)-2-[[5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2772020
tert-butyl 2-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
CID 3851422
N-(2,5-dimethylphenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1276560
3-methyl-N-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92893088
N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 50837354
2-(4-methylphenyl)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898187
2-(4-methylphenoxy)-N-[5-[(3R)-5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide
CID 92898173
N-(2,5-dimethylphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3918936
3,4-dimethoxy-N-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 50744121
N-[5-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]pentanamide
CID 50836807
N-[5-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 17203972

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 92712379) is N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccc(N2C[C@@H](c3nnc(SCC(=O)Nc4cc(C)ccc4C)o3)CC2=O)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is KKYUYMSZHWMZBW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-14-5-8-18(9-6-14)27-12-17(11-21(27)29)22-25-26-23(30-22)31-13-20(28)24-19-10-15(2)4-7-16(19)3/h4-10,17H,11-13H2,1-3H3,(H,24,28)/t17-/m0/s1.
What are the key properties of N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 436.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 92712379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).