5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide

C12H17Cl2NOS — CID 106117523

IUPAC5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H17Cl2NOS/c1-2-3-9(6-7-13)8-15-12(16)10-4-5-11(14)17-10/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyDOIKGDRWRFWGSO-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.18
Rot. Bonds7

About 5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide

5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide (PubChem CID 106117523) has the molecular formula C12H17Cl2NOS and a molecular weight of 294.25 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
PubChem CID106117523
Molecular FormulaC12H17Cl2NOS
Molecular Weight294.25 g/mol
Exact Mass293.04
IUPAC Name5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H17Cl2NOS/c1-2-3-9(6-7-13)8-15-12(16)10-4-5-11(14)17-10/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyDOIKGDRWRFWGSO-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide (CID 106117523) is 5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide is CCCC(CCCl)CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide?
The InChIKey is DOIKGDRWRFWGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NOS/c1-2-3-9(6-7-13)8-15-12(16)10-4-5-11(14)17-10/h4-5,9H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide?
5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide has a molecular weight of 294.25 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide is sourced from PubChem (CID 106117523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).