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

C15H18ClN3O4S — CID 156745019

IUPAC5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane
SMILESCC1CC1.O=CNc1sc(Cl)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H10ClN3O4S.C4H8/c12-7-3-5(11(20-7)13-4-16)9(18)14-6-1-2-8(17)15-10(6)19;1-4-2-3-4/h3-4,6H,1-2H2,(H,13,16)(H,14,18)(H,15,17,19);4H,2-3H2,1H3
InChIKeyNZLXSPWLZZVAJM-UHFFFAOYSA-N
MW371.85 g/mol
LogP1.92
Rot. Bonds4

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

5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane (PubChem CID 156745019) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane.

Molecular Properties

Compound Name5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane
PubChem CID156745019
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane
SMILESCC1CC1.O=CNc1sc(Cl)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H10ClN3O4S.C4H8/c12-7-3-5(11(20-7)13-4-16)9(18)14-6-1-2-8(17)15-10(6)19;1-4-2-3-4/h3-4,6H,1-2H2,(H,13,16)(H,14,18)(H,15,17,19);4H,2-3H2,1H3
InChIKeyNZLXSPWLZZVAJM-UHFFFAOYSA-N
XLogP1.92
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 51.92
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-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-[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
2-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408779
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-(methylamino)thiophene-3-carboxamide
CID 156408911
2-acetamido-4,5-dichloro-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408917

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane?
The IUPAC name of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane (CID 156745019) is 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane.
What is the SMILES notation for 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane?
The canonical SMILES for 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane is CC1CC1.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;methylcyclopropane?
The InChIKey is NZLXSPWLZZVAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S.C4H8/c12-7-3-5(11(20-7)13-4-16)9(18)14-6-1-2-8(17)15-10(6)19;1-4-2-3-4/h3-4,6H,1-2H2,(H,13,16)(H,14,18)(H,15,17,19);4H,2-3H2,1H3.
What are the key properties of 5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane?
5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-formamidothiophene-3-carboxamide;methylcyclopropane has a molecular weight of 371.85 g/mol, XLogP of 1.92, 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;methylcyclopropane is sourced from PubChem (CID 156745019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).