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

C22H22N4O4S — CID 92712372

IUPACN-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)c1
InChIInChI=1S/C22H22N4O4S/c1-14-6-8-17(9-7-14)26-12-15(10-20(26)28)21-24-25-22(30-21)31-13-19(27)23-16-4-3-5-18(11-16)29-2/h3-9,11,15H,10,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyILOMQGFCOZAUBG-OAHLLOKOSA-N
MW438.51 g/mol
LogP3.64
Rot. Bonds7

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

N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 92712372) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID92712372
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC NameN-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)c1
InChIInChI=1S/C22H22N4O4S/c1-14-6-8-17(9-7-14)26-12-15(10-20(26)28)21-24-25-22(30-21)31-13-19(27)23-16-4-3-5-18(11-16)29-2/h3-9,11,15H,10,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyILOMQGFCOZAUBG-OAHLLOKOSA-N
XLogP3.64
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethylphenyl)-2-[[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92712379
2-(3-methoxyphenyl)-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 50837352
(3R)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51869964
3-methoxy-N-[5-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 46393235
2-methoxy-N-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]benzamide
CID 92734488
N-[5-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 50837354
N-(3-methoxyphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7612561
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 1311004
N-(3-methoxyphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7418250
N-(3-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4534088
(3R)-1-(4-methoxyphenyl)-N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92899994
2-[[5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 92531422

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 92712372) is N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1cccc(NC(=O)CSc2nnc([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is ILOMQGFCOZAUBG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-14-6-8-17(9-7-14)26-12-15(10-20(26)28)21-24-25-22(30-21)31-13-19(27)23-16-4-3-5-18(11-16)29-2/h3-9,11,15H,10,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1.
What are the key properties of N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 438.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 92712372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).