2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide

C15H17ClN2O4S — CID 167248686

IUPAC2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide
SMILESCC(=O)Nc1sc(C2CC2)c(Cl)c1C(=O)NC(C=O)CCC=O
InChIInChI=1S/C15H17ClN2O4S/c1-8(21)17-15-11(12(16)13(23-15)9-4-5-9)14(22)18-10(7-20)3-2-6-19/h6-7,9-10H,2-5H2,1H3,(H,17,21)(H,18,22)
InChIKeyGEFHXLWHRHWZMZ-UHFFFAOYSA-N
MW356.83 g/mol
LogP2.51
Rot. Bonds8

About 2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide

2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide (PubChem CID 167248686) has the molecular formula C15H17ClN2O4S and a molecular weight of 356.83 g/mol. Its IUPAC name is 2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide
PubChem CID167248686
Molecular FormulaC15H17ClN2O4S
Molecular Weight356.83 g/mol
Exact Mass356.06
IUPAC Name2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide
SMILESCC(=O)Nc1sc(C2CC2)c(Cl)c1C(=O)NC(C=O)CCC=O
InChIInChI=1S/C15H17ClN2O4S/c1-8(21)17-15-11(12(16)13(23-15)9-4-5-9)14(22)18-10(7-20)3-2-6-19/h6-7,9-10H,2-5H2,1H3,(H,17,21)(H,18,22)
InChIKeyGEFHXLWHRHWZMZ-UHFFFAOYSA-N
XLogP2.51
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-4-chloro-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408106
2-acetamido-4-chloro-5-cyclopropyl-N-(6-hydroxy-2-oxopiperidin-3-yl)thiophene-3-carboxamide
CID 156435080
2-acetamido-5-cyclopropyl-4-ethyl-N-(1-formamido-1-oxopentan-2-yl)thiophene-3-carboxamide
CID 156745127
2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-ethylthiophene-3-carboxamide
CID 156745128
2-acetamido-5-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)-4-methylthiophene-3-carboxamide
CID 166152006
2-acetamido-4-chloro-5-cyclopropyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]thiophene-3-carboxamide
CID 177149921

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide (CID 167248686) is 2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide is CC(=O)Nc1sc(C2CC2)c(Cl)c1C(=O)NC(C=O)CCC=O.
What is the InChIKey of 2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide?
The InChIKey is GEFHXLWHRHWZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S/c1-8(21)17-15-11(12(16)13(23-15)9-4-5-9)14(22)18-10(7-20)3-2-6-19/h6-7,9-10H,2-5H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide?
2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide has a molecular weight of 356.83 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-chloro-5-cyclopropyl-N-(1,5-dioxopentan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 167248686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).