N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide

C19H21N3O4S — CID 110623140

IUPACN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2cccnc2)cc1N1CCCS1(=O)=O
InChIInChI=1S/C19H21N3O4S/c1-14-5-6-16(12-17(14)22-10-3-11-27(22,25)26)21-19(24)8-7-18(23)15-4-2-9-20-13-15/h2,4-6,9,12-13H,3,7-8,10-11H2,1H3,(H,21,24)
InChIKeyPGIPLXLRTJLPJO-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.53
Rot. Bonds6

About N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110623140) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110623140
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2cccnc2)cc1N1CCCS1(=O)=O
InChIInChI=1S/C19H21N3O4S/c1-14-5-6-16(12-17(14)22-10-3-11-27(22,25)26)21-19(24)8-7-18(23)15-4-2-9-20-13-15/h2,4-6,9,12-13H,3,7-8,10-11H2,1H3,(H,21,24)
InChIKeyPGIPLXLRTJLPJO-UHFFFAOYSA-N
XLogP2.53
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110623032
2-(cyclopropylmethylamino)-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]acetamide
CID 119798756
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide
CID 110623052
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-(oxan-2-yl)acetamide
CID 110623141
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110425405
ethyl 2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylanilino]-2-oxoacetate
CID 112505824
N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]-3-methylbenzamide
CID 112505554
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
CID 30697500
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 71683874
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-2-methylpentanamide
CID 119798780
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide
CID 112505754
4-chloro-N-[3-(1,1-dioxothiazinan-2-yl)-4-methylphenyl]benzamide
CID 112505577

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide (CID 110623140) is N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide is Cc1ccc(NC(=O)CCC(=O)c2cccnc2)cc1N1CCCS1(=O)=O.
What is the InChIKey of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is PGIPLXLRTJLPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-14-5-6-16(12-17(14)22-10-3-11-27(22,25)26)21-19(24)8-7-18(23)15-4-2-9-20-13-15/h2,4-6,9,12-13H,3,7-8,10-11H2,1H3,(H,21,24).
What are the key properties of N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide?
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 387.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110623140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).