2-(thiophene-3-carbonyl)butanamide

C9H11NO2S — CID 90985419

IUPAC2-(thiophene-3-carbonyl)butanamide
SMILESCCC(C(N)=O)C(=O)c1ccsc1
InChIInChI=1S/C9H11NO2S/c1-2-7(9(10)12)8(11)6-3-4-13-5-6/h3-5,7H,2H2,1H3,(H2,10,12)
InChIKeyMFTLRNAINUANFT-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.44
Rot. Bonds4

About 2-(thiophene-3-carbonyl)butanamide

2-(thiophene-3-carbonyl)butanamide (PubChem CID 90985419) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(thiophene-3-carbonyl)butanamide.

Molecular Properties

Compound Name2-(thiophene-3-carbonyl)butanamide
PubChem CID90985419
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-(thiophene-3-carbonyl)butanamide
SMILESCCC(C(N)=O)C(=O)c1ccsc1
InChIInChI=1S/C9H11NO2S/c1-2-7(9(10)12)8(11)6-3-4-13-5-6/h3-5,7H,2H2,1H3,(H2,10,12)
InChIKeyMFTLRNAINUANFT-UHFFFAOYSA-N
XLogP1.44
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117
2-bromo-1-thiophen-3-ylbutan-1-one
CID 59598618
3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
CID 116564427
2-(1H-pyrrole-3-carbonyl)butanamide
CID 91294080
2-methylsulfanyl-1,4-di(thiophen-3-yl)butane-1,4-dione
CID 24864782
(E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one
CID 23591192
[amino(thiophen-3-yl)methylidene]azanium
CID 6932604
6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one
CID 116578135
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
2-(2-oxo-2-thiophen-3-ylethyl)propanedioic acid
CID 6611424
2-cyclopropyl-1-thiophen-3-ylpropan-1-one
CID 114975207
N-[(2R)-1-amino-3-methoxy-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 97062302

Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-3-carbonyl)butanamide?
The IUPAC name of 2-(thiophene-3-carbonyl)butanamide (CID 90985419) is 2-(thiophene-3-carbonyl)butanamide.
What is the SMILES notation for 2-(thiophene-3-carbonyl)butanamide?
The canonical SMILES for 2-(thiophene-3-carbonyl)butanamide is CCC(C(N)=O)C(=O)c1ccsc1.
What is the InChIKey of 2-(thiophene-3-carbonyl)butanamide?
The InChIKey is MFTLRNAINUANFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-2-7(9(10)12)8(11)6-3-4-13-5-6/h3-5,7H,2H2,1H3,(H2,10,12).
What are the key properties of 2-(thiophene-3-carbonyl)butanamide?
2-(thiophene-3-carbonyl)butanamide has a molecular weight of 197.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-3-carbonyl)butanamide is sourced from PubChem (CID 90985419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).