3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide

C20H21ClN2O3S — CID 60570697

IUPAC3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
SMILESCCC1(c2ccc(NC(=O)CCc3ccc(Cl)s3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C20H21ClN2O3S/c1-2-20(12-11-18(25)23-19(20)26)13-3-5-14(6-4-13)22-17(24)10-8-15-7-9-16(21)27-15/h3-7,9H,2,8,10-12H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyCQUJXWCUXXASDO-UHFFFAOYSA-N
MW404.92 g/mol
LogP4.06
Rot. Bonds6

About 3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide

3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide (PubChem CID 60570697) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
PubChem CID60570697
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
SMILESCCC1(c2ccc(NC(=O)CCc3ccc(Cl)s3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C20H21ClN2O3S/c1-2-20(12-11-18(25)23-19(20)26)13-3-5-14(6-4-13)22-17(24)10-8-15-7-9-16(21)27-15/h3-7,9H,2,8,10-12H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyCQUJXWCUXXASDO-UHFFFAOYSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.06
H-Bond Donors ≤ 52
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 3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide (CID 60570697) is 3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide is CCC1(c2ccc(NC(=O)CCc3ccc(Cl)s3)cc2)CCC(=O)NC1=O.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide?
The InChIKey is CQUJXWCUXXASDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-2-20(12-11-18(25)23-19(20)26)13-3-5-14(6-4-13)22-17(24)10-8-15-7-9-16(21)27-15/h3-7,9H,2,8,10-12H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide?
3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide has a molecular weight of 404.92 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide is sourced from PubChem (CID 60570697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).