N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide

C16H21N3O3S — CID 156744972

IUPACN-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide
SMILESC=C(C)Nc1scc(C(=O)NC2CCC(=O)NC2=O)c1CCC
InChIInChI=1S/C16H21N3O3S/c1-4-5-10-11(8-23-16(10)17-9(2)3)14(21)18-12-6-7-13(20)19-15(12)22/h8,12,17H,2,4-7H2,1,3H3,(H,18,21)(H,19,20,22)
InChIKeyACHUHFCWWWUCGY-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.18
Rot. Bonds6

About N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide

N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide (PubChem CID 156744972) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide
PubChem CID156744972
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide
SMILESC=C(C)Nc1scc(C(=O)NC2CCC(=O)NC2=O)c1CCC
InChIInChI=1S/C16H21N3O3S/c1-4-5-10-11(8-23-16(10)17-9(2)3)14(21)18-12-6-7-13(20)19-15(12)22/h8,12,17H,2,4-7H2,1,3H3,(H,18,21)(H,19,20,22)
InChIKeyACHUHFCWWWUCGY-UHFFFAOYSA-N
XLogP2.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-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

2-acetamido-4-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408163
2-(2,2-dimethylpropanoylamino)-N-(2,6-dioxopiperidin-3-yl)-4,5-dimethylthiophene-3-carboxamide
CID 156408552
N-(2,6-dioxopiperidin-3-yl)-5,8-dihydro-4H-thieno[2,3-b]azepine-3-carboxamide
CID 156438425
N-(2,6-dioxopiperidin-3-yl)-5-(ethenylamino)-4-propylthiophene-3-carboxamide
CID 156744916
2-acetamido-N-(2-oxopiperidin-3-yl)-4-propan-2-ylthiophene-3-carboxamide
CID 156745040
N-[3-[cyclobutylidene-[(2,6-dioxopiperidin-3-yl)amino]methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 156745064
3-[(4-Propan-2-ylthiophen-2-yl)amino]piperidine-2,6-dione
CID 164720792
2-[2-[acetyl(methyl)amino]thiophen-3-yl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431038
2-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431042
2-(2-acetamidothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)-N-methylacetamide
CID 167431043
N-(2,6-dioxopiperidin-3-yl)-2-[2-(methylamino)thiophen-3-yl]acetamide
CID 167431046
N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 167431051

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide (CID 156744972) is N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide is C=C(C)Nc1scc(C(=O)NC2CCC(=O)NC2=O)c1CCC.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide?
The InChIKey is ACHUHFCWWWUCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-4-5-10-11(8-23-16(10)17-9(2)3)14(21)18-12-6-7-13(20)19-15(12)22/h8,12,17H,2,4-7H2,1,3H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-5-(prop-1-en-2-ylamino)-4-propylthiophene-3-carboxamide is sourced from PubChem (CID 156744972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).