2-(4-chlorobutanoylamino)thiophene-3-carboxamide

C9H11ClN2O2S — CID 63309353

IUPAC2-(4-chlorobutanoylamino)thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCCCl
InChIInChI=1S/C9H11ClN2O2S/c10-4-1-2-7(13)12-9-6(8(11)14)3-5-15-9/h3,5H,1-2,4H2,(H2,11,14)(H,12,13)
InChIKeyDLISROQPSJNICJ-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.80
Rot. Bonds5

About 2-(4-chlorobutanoylamino)thiophene-3-carboxamide

2-(4-chlorobutanoylamino)thiophene-3-carboxamide (PubChem CID 63309353) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-(4-chlorobutanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorobutanoylamino)thiophene-3-carboxamide
PubChem CID63309353
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name2-(4-chlorobutanoylamino)thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCCCl
InChIInChI=1S/C9H11ClN2O2S/c10-4-1-2-7(13)12-9-6(8(11)14)3-5-15-9/h3,5H,1-2,4H2,(H2,11,14)(H,12,13)
InChIKeyDLISROQPSJNICJ-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
CID 60660981
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
CID 61253475
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
2-[(2,2,2-trichloroacetyl)carbamoylamino]thiophene-3-carboxamide
CID 59715453
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63646484
2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 7254924
2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
CID 47136233

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutanoylamino)thiophene-3-carboxamide?
The IUPAC name of 2-(4-chlorobutanoylamino)thiophene-3-carboxamide (CID 63309353) is 2-(4-chlorobutanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 2-(4-chlorobutanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 2-(4-chlorobutanoylamino)thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CCCCl.
What is the InChIKey of 2-(4-chlorobutanoylamino)thiophene-3-carboxamide?
The InChIKey is DLISROQPSJNICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-4-1-2-7(13)12-9-6(8(11)14)3-5-15-9/h3,5H,1-2,4H2,(H2,11,14)(H,12,13).
What are the key properties of 2-(4-chlorobutanoylamino)thiophene-3-carboxamide?
2-(4-chlorobutanoylamino)thiophene-3-carboxamide has a molecular weight of 246.72 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 63309353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).