5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine

C24H30N4O5S2 — CID 142943525

IUPAC5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine
SMILESCNC(=O)c1ccc(-n2ccccc2=O)cc1.CNC(=O)c1ccc(O)s1.CS(=O)N1CCCC1
InChIInChI=1S/C13H12N2O2.C6H7NO2S.C5H11NOS/c1-14-13(17)10-5-7-11(8-6-10)15-9-3-2-4-12(15)16;1-7-6(9)4-2-3-5(8)10-4;1-8(7)6-4-2-3-5-6/h2-9H,1H3,(H,14,17);2-3,8H,1H3,(H,7,9);2-5H2,1H3
InChIKeyPDYSFXDWNOFWEL-UHFFFAOYSA-N
MW518.66 g/mol
LogP2.39
Rot. Bonds4

About 5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine

5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine (PubChem CID 142943525) has the molecular formula C24H30N4O5S2 and a molecular weight of 518.66 g/mol. Its IUPAC name is 5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine.

Molecular Properties

Compound Name5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine
PubChem CID142943525
Molecular FormulaC24H30N4O5S2
Molecular Weight518.66 g/mol
Exact Mass518.17
IUPAC Name5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine
SMILESCNC(=O)c1ccc(-n2ccccc2=O)cc1.CNC(=O)c1ccc(O)s1.CS(=O)N1CCCC1
InChIInChI=1S/C13H12N2O2.C6H7NO2S.C5H11NOS/c1-14-13(17)10-5-7-11(8-6-10)15-9-3-2-4-12(15)16;1-7-6(9)4-2-3-5(8)10-4;1-8(7)6-4-2-3-5-6/h2-9H,1H3,(H,14,17);2-3,8H,1H3,(H,7,9);2-5H2,1H3
InChIKeyPDYSFXDWNOFWEL-UHFFFAOYSA-N
XLogP2.39
TPSA120.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-hydroxy-N-methyl-N'-[4-(2-oxo-1-pyridinyl)benzoyl]thiophene-2-carbohydrazide
CID 142943410
N-[(3R)-1-acetyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidin-3-yl]-5-chlorothiophene-2-carboxamide
CID 58845319
5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide
CID 10433624
5-chloro-N-[(1R,2S,4S)-4-(methoxymethyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 69441318
3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid
CID 10003667
ethane;N-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 142575628
N-[(2R)-2-[(4-methoxybenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 163680968
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748157
N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide
CID 58845419
5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide
CID 10002757
5-chloro-N-[[1-[2-(methylcarbamoyl)-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 24997758

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine?
The IUPAC name of 5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine (CID 142943525) is 5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine.
What is the SMILES notation for 5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine?
The canonical SMILES for 5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine is CNC(=O)c1ccc(-n2ccccc2=O)cc1.CNC(=O)c1ccc(O)s1.CS(=O)N1CCCC1.
What is the InChIKey of 5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine?
The InChIKey is PDYSFXDWNOFWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2.C6H7NO2S.C5H11NOS/c1-14-13(17)10-5-7-11(8-6-10)15-9-3-2-4-12(15)16;1-7-6(9)4-2-3-5(8)10-4;1-8(7)6-4-2-3-5-6/h2-9H,1H3,(H,14,17);2-3,8H,1H3,(H,7,9);2-5H2,1H3.
What are the key properties of 5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine?
5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine has a molecular weight of 518.66 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methylthiophene-2-carboxamide;N-methyl-4-(2-oxo-1-pyridinyl)benzamide;1-methylsulfinylpyrrolidine is sourced from PubChem (CID 142943525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).