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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Related Compounds

5-chloro-N-(2-hydroxypentyl)thiophene-2-carboxamide
CID 115700935
4,5-dibromo-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117550
N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide
CID 106117656
5-chloro-N-(3-chloro-2-hydroxypropyl)thiophene-2-carboxamide
CID 78109019
5-chloro-N-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]thiophene-2-carboxamide
CID 3490004
N-[2-(2-chloroethyl)pentyl]-2-ethylbenzamide
CID 106117548
4-[(5-chlorothiophene-2-carbonyl)amino]-3-methylbutanoic acid
CID 81064597
N-[2-(2-chloroethyl)pentyl]-4-methoxybenzamide
CID 106117686
2-chloro-N-[2-(2-chloroethyl)pentyl]-4-fluorobenzamide
CID 106117476
4-chloro-N-[2-(2-chloroethyl)pentyl]-3-fluorobenzamide
CID 106117571
N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
3-bromo-N-[2-(2-chloroethyl)pentyl]benzamide
CID 106117633

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).