5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide

C11H10ClN3O4S — CID 156745020

IUPAC5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide
SMILESO=CNc1sc(Cl)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H10ClN3O4S/c12-7-3-5(11(20-7)13-4-16)9(18)14-6-1-2-8(17)15-10(6)19/h3-4,6H,1-2H2,(H,13,16)(H,14,18)(H,15,17,19)
InChIKeyXZJRMSJOPNZBKT-UHFFFAOYSA-N
MW315.74 g/mol
LogP0.50
Rot. Bonds4

About 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide

5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide (PubChem CID 156745020) has the molecular formula C11H10ClN3O4S and a molecular weight of 315.74 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide
PubChem CID156745020
Molecular FormulaC11H10ClN3O4S
Molecular Weight315.74 g/mol
Exact Mass315.01
IUPAC Name5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide
SMILESO=CNc1sc(Cl)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H10ClN3O4S/c12-7-3-5(11(20-7)13-4-16)9(18)14-6-1-2-8(17)15-10(6)19/h3-4,6H,1-2H2,(H,13,16)(H,14,18)(H,15,17,19)
InChIKeyXZJRMSJOPNZBKT-UHFFFAOYSA-N
XLogP0.50
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 50.50
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-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408625
2-amino-N-(2,6-dioxopiperidin-3-yl)-5-fluorothiophene-3-carboxamide
CID 175590178
2-acetamido-4-chloro-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408548
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-[[(2S)-2-hydroxypropanoyl]amino]thiophene-3-carboxamide
CID 156408554
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-(2-hydroxypropanoylamino)thiophene-3-carboxamide
CID 156408556
2-amino-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408583
[3-[(2,6-Dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]carbamic acid
CID 156408628
2-[acetyl(methyl)amino]-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408649
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-(pentanoylamino)thiophene-3-carboxamide
CID 156408674
tert-butyl N-[5-chloro-3-[(2,6-dioxopiperidin-3-yl)carbamoyl]thiophen-2-yl]carbamate
CID 156408715
5-chloro-2-(cyclopropanecarbonylamino)-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408733
N-(2,6-Dioxo-3-piperidinyl)-2-(methylamino)-3-thiophenecarboxamide
CID 156408736

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide?
The IUPAC name of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide (CID 156745020) is 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide is O=CNc1sc(Cl)cc1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide?
The InChIKey is XZJRMSJOPNZBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S/c12-7-3-5(11(20-7)13-4-16)9(18)14-6-1-2-8(17)15-10(6)19/h3-4,6H,1-2H2,(H,13,16)(H,14,18)(H,15,17,19).
What are the key properties of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide?
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide has a molecular weight of 315.74 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide is sourced from PubChem (CID 156745020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).