N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide

C15H20N2O3S — CID 71940856

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCc1cc(C(C)NC(=O)C(C)N2C(=O)CCC2=O)c(C)s1
InChIInChI=1S/C15H20N2O3S/c1-8-7-12(11(4)21-8)9(2)16-15(20)10(3)17-13(18)5-6-14(17)19/h7,9-10H,5-6H2,1-4H3,(H,16,20)
InChIKeyMSCCXWOZJFBBCP-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.08
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 71940856) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID71940856
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCc1cc(C(C)NC(=O)C(C)N2C(=O)CCC2=O)c(C)s1
InChIInChI=1S/C15H20N2O3S/c1-8-7-12(11(4)21-8)9(2)16-15(20)10(3)17-13(18)5-6-14(17)19/h7,9-10H,5-6H2,1-4H3,(H,16,20)
InChIKeyMSCCXWOZJFBBCP-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 71940856) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide is Cc1cc(C(C)NC(=O)C(C)N2C(=O)CCC2=O)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is MSCCXWOZJFBBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-8-7-12(11(4)21-8)9(2)16-15(20)10(3)17-13(18)5-6-14(17)19/h7,9-10H,5-6H2,1-4H3,(H,16,20).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 71940856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).