N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide

C13H16ClN3O4S — CID 156745075

IUPACN-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCC(=O)Nc1scc(Cl)c1C.O=CNC1CCC(=O)NC1=O
InChIInChI=1S/C7H8ClNOS.C6H8N2O3/c1-4-6(8)3-11-7(4)9-5(2)10;9-3-7-4-1-2-5(10)8-6(4)11/h3H,1-2H3,(H,9,10);3-4H,1-2H2,(H,7,9)(H,8,10,11)
InChIKeyPHTSGPNKLABKEB-UHFFFAOYSA-N
MW345.81 g/mol
LogP1.21
Rot. Bonds3

About N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide

N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 156745075) has the molecular formula C13H16ClN3O4S and a molecular weight of 345.81 g/mol. Its IUPAC name is N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide
PubChem CID156745075
Molecular FormulaC13H16ClN3O4S
Molecular Weight345.81 g/mol
Exact Mass345.06
IUPAC NameN-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCC(=O)Nc1scc(Cl)c1C.O=CNC1CCC(=O)NC1=O
InChIInChI=1S/C7H8ClNOS.C6H8N2O3/c1-4-6(8)3-11-7(4)9-5(2)10;9-3-7-4-1-2-5(10)8-6(4)11/h3H,1-2H3,(H,9,10);3-4H,1-2H2,(H,7,9)(H,8,10,11)
InChIKeyPHTSGPNKLABKEB-UHFFFAOYSA-N
XLogP1.21
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-4-chloro-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408548
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-(pentanoylamino)thiophene-3-carboxamide
CID 156408674
2-(2-acetamido-4-chlorothiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431068
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide
CID 156745020

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide?
The IUPAC name of N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide (CID 156745075) is N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide.
What is the SMILES notation for N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide?
The canonical SMILES for N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide is CC(=O)Nc1scc(Cl)c1C.O=CNC1CCC(=O)NC1=O.
What is the InChIKey of N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide?
The InChIKey is PHTSGPNKLABKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS.C6H8N2O3/c1-4-6(8)3-11-7(4)9-5(2)10;9-3-7-4-1-2-5(10)8-6(4)11/h3H,1-2H3,(H,9,10);3-4H,1-2H2,(H,7,9)(H,8,10,11).
What are the key properties of N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide?
N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 345.81 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylthiophen-2-yl)acetamide;N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 156745075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).