N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole

C24H24N6O4S — CID 144936932

IUPACN,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole
SMILESCN(C)C(=O)CN1Cc2ccc(N3CCCC3=O)cc2C1=O.O=Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C16H19N3O3.C8H5N3OS/c1-17(2)15(21)10-18-9-11-5-6-12(8-13(11)16(18)22)19-7-3-4-14(19)20;12-10-7-3-1-6(2-4-7)8-5-13-11-9-8/h5-6,8H,3-4,7,9-10H2,1-2H3;1-5H
InChIKeyMYGXTNWHUSDFFV-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.46
Rot. Bonds5

About N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole

N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole (PubChem CID 144936932) has the molecular formula C24H24N6O4S and a molecular weight of 492.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole
PubChem CID144936932
Molecular FormulaC24H24N6O4S
Molecular Weight492.56 g/mol
Exact Mass492.16
IUPAC NameN,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole
SMILESCN(C)C(=O)CN1Cc2ccc(N3CCCC3=O)cc2C1=O.O=Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C16H19N3O3.C8H5N3OS/c1-17(2)15(21)10-18-9-11-5-6-12(8-13(11)16(18)22)19-7-3-4-14(19)20;12-10-7-3-1-6(2-4-7)8-5-13-11-9-8/h5-6,8H,3-4,7,9-10H2,1-2H3;1-5H
InChIKeyMYGXTNWHUSDFFV-UHFFFAOYSA-N
XLogP3.46
TPSA116.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2,3-dihydropyridin-6-yloxy)phenol;N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
CID 144936926
2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-6-(2-oxopyrrolidin-1-yl)-3H-isoindol-1-one
CID 126497716
2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 55642013
tert-butyl 6-(2-oxopyrrolidin-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 143307369
2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetic acid
CID 123659178
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 123440471
tert-butyl (2R)-2-ethoxy-2-[3-oxo-4-[3-oxo-2-(2,2,2-trifluoroethyl)-1H-isoindol-5-yl]morpholin-2-yl]acetate
CID 70225398
1-[3-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one
CID 96513226
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(2,3-dihydro-1H-isoindol-5-yl)pyrrolidin-2-one;hydrochloride
CID 68824082
N,N-dimethyl-2-(2-sulfanylidenepyrrolidin-1-yl)acetamide
CID 71395055
1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 94819626

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole?
The IUPAC name of N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole (CID 144936932) is N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole.
What is the SMILES notation for N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole?
The canonical SMILES for N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole is CN(C)C(=O)CN1Cc2ccc(N3CCCC3=O)cc2C1=O.O=Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole?
The InChIKey is MYGXTNWHUSDFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.C8H5N3OS/c1-17(2)15(21)10-18-9-11-5-6-12(8-13(11)16(18)22)19-7-3-4-14(19)20;12-10-7-3-1-6(2-4-7)8-5-13-11-9-8/h5-6,8H,3-4,7,9-10H2,1-2H3;1-5H.
What are the key properties of N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole?
N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole has a molecular weight of 492.56 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide;4-(4-nitrosophenyl)thiadiazole is sourced from PubChem (CID 144936932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).