N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide

C19H21N3O4S — CID 138731723

IUPACN-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide
SMILESCC(C)C(NC(=O)c1csc2ccccc12)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C19H21N3O4S/c1-10(2)15(18(25)21-13-7-8-20-19(26)16(13)23)22-17(24)12-9-27-14-6-4-3-5-11(12)14/h3-6,9-10,13,15H,7-8H2,1-2H3,(H,20,26)(H,21,25)(H,22,24)
InChIKeyRKUQFUQJTRDNCZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.23
Rot. Bonds5

About N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide

N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide (PubChem CID 138731723) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide
PubChem CID138731723
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide
SMILESCC(C)C(NC(=O)c1csc2ccccc12)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C19H21N3O4S/c1-10(2)15(18(25)21-13-7-8-20-19(26)16(13)23)22-17(24)12-9-27-14-6-4-3-5-11(12)14/h3-6,9-10,13,15H,7-8H2,1-2H3,(H,20,26)(H,21,25)(H,22,24)
InChIKeyRKUQFUQJTRDNCZ-UHFFFAOYSA-N
XLogP1.23
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(1-benzothiophene-3-carbonylamino)-3-methylbutanoic acid
CID 55012835
S-benzyl 2-[[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethanethioate
CID 138730780
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide
CID 138731150
2-(1-benzofuran-3-ylmethylcarbamoylamino)-N-(2,3-dioxopiperidin-4-yl)-3-methylbutanamide
CID 138730517
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide
CID 138730757
N-[3-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]butan-2-yl]-1-benzothiophene-3-carboxamide
CID 10186667
N-[(2S)-3,3-dimethylbutan-2-yl]-1-benzothiophene-3-carboxamide
CID 1246729
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide
CID 138730316
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
benzyl N-[(2S)-1-[(2,3-dioxoazepan-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130420335
[1-[(2,3-dioxo-azacycloundec-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 130408101
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-benzothiophene-3-carboxamide
CID 98272034

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide (CID 138731723) is N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide is CC(C)C(NC(=O)c1csc2ccccc12)C(=O)NC1CCNC(=O)C1=O.
What is the InChIKey of N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide?
The InChIKey is RKUQFUQJTRDNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-10(2)15(18(25)21-13-7-8-20-19(26)16(13)23)22-17(24)12-9-27-14-6-4-3-5-11(12)14/h3-6,9-10,13,15H,7-8H2,1-2H3,(H,20,26)(H,21,25)(H,22,24).
What are the key properties of N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide?
N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 138731723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).