4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide

C9H10ClNO3S — CID 43054602

IUPAC4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide
SMILESCONC(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClNO3S/c1-14-11-9(13)5-2-6(12)7-3-4-8(10)15-7/h3-4H,2,5H2,1H3,(H,11,13)
InChIKeyNASAYIMRKPCGMM-UHFFFAOYSA-N
MW247.70 g/mol
LogP2.04
Rot. Bonds5

About 4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide

4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide (PubChem CID 43054602) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide
PubChem CID43054602
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide
SMILESCONC(=O)CCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClNO3S/c1-14-11-9(13)5-2-6(12)7-3-4-8(10)15-7/h3-4H,2,5H2,1H3,(H,11,13)
InChIKeyNASAYIMRKPCGMM-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]benzoate
CID 26583308
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
amino 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 142178615
2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-methylpentanamide
CID 86976250
methyl (2S)-2-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-3-phenylpropanoate
CID 2576698
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
CID 103024754
3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methoxybenzamide
CID 55964273
4-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-4-oxobutanamide
CID 78798225
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate
CID 4962746
4-(5-chlorothiophen-2-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 46652279
4-amino-1-(5-chlorothiophen-2-yl)pentan-1-one
CID 116571571

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide (CID 43054602) is 4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide is CONC(=O)CCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide?
The InChIKey is NASAYIMRKPCGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-14-11-9(13)5-2-6(12)7-3-4-8(10)15-7/h3-4H,2,5H2,1H3,(H,11,13).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide?
4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide has a molecular weight of 247.70 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-methoxy-4-oxobutanamide is sourced from PubChem (CID 43054602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).