N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide

C17H23N3O4S — CID 138731150

IUPACN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide
SMILESCC(C)C(NC(=O)CCc1cccs1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C17H23N3O4S/c1-10(2)14(20-13(21)6-5-11-4-3-9-25-11)16(23)19-12-7-8-18-17(24)15(12)22/h3-4,9-10,12,14H,5-8H2,1-2H3,(H,18,24)(H,19,23)(H,20,21)
InChIKeyZNJFEGYQGWWCME-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.40
Rot. Bonds7

About N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide

N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide (PubChem CID 138731150) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide.

Molecular Properties

Compound NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide
PubChem CID138731150
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide
SMILESCC(C)C(NC(=O)CCc1cccs1)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C17H23N3O4S/c1-10(2)14(20-13(21)6-5-11-4-3-9-25-11)16(23)19-12-7-8-18-17(24)15(12)22/h3-4,9-10,12,14H,5-8H2,1-2H3,(H,18,24)(H,19,23)(H,20,21)
InChIKeyZNJFEGYQGWWCME-UHFFFAOYSA-N
XLogP0.40
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzothiophene-3-carboxamide
CID 138731723
S-benzyl 2-[[1-[(2,3-dioxopiperidin-4-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethanethioate
CID 138730780
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-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide
CID 138730316
benzyl N-[(2S)-1-[(2,3-dioxoazepan-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130420335
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(5-pyridin-4-yl-1,3-oxazol-2-yl)amino]butanamide
CID 138730234
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 124841571
(2S)-4-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 61155171
ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate
CID 61342753

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide?
The IUPAC name of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide (CID 138731150) is N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide.
What is the SMILES notation for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide?
The canonical SMILES for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide is CC(C)C(NC(=O)CCc1cccs1)C(=O)NC1CCNC(=O)C1=O.
What is the InChIKey of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide?
The InChIKey is ZNJFEGYQGWWCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-10(2)14(20-13(21)6-5-11-4-3-9-25-11)16(23)19-12-7-8-18-17(24)15(12)22/h3-4,9-10,12,14H,5-8H2,1-2H3,(H,18,24)(H,19,23)(H,20,21).
What are the key properties of N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide?
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide has a molecular weight of 365.46 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-(3-thiophen-2-ylpropanoylamino)butanamide is sourced from PubChem (CID 138731150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).