N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide

C13H18ClNOS — CID 114303260

IUPACN-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2Cl)sc1C
InChIInChI=1S/C13H18ClNOS/c1-8-6-12(17-9(8)2)13(16)15-7-10-4-3-5-11(10)14/h6,10-11H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyWTEBGHHFPZDIGQ-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.50
Rot. Bonds3

About N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide

N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 114303260) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID114303260
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2Cl)sc1C
InChIInChI=1S/C13H18ClNOS/c1-8-6-12(17-9(8)2)13(16)15-7-10-4-3-5-11(10)14/h6,10-11H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyWTEBGHHFPZDIGQ-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.50
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

N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide
CID 4962027
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
Thiophene-2-carboxylic acid (2-cyclopentyl-ethyl)-amide
CID 774817
N-[2-(dimethylamino)ethyl]-5-ethyl-3-thiophenecarboxamide
CID 1247079
5-methyl-N-(3-phenylpropyl)thiophene-2-carboxamide
CID 2225360
N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)-2,2-dimethylpropanamide
CID 2560371
N-cyclopropyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 25641374
N-(2-cyclopentylsulfanylethyl)-3-methylthiophene-2-carboxamide
CID 45880718
N-cyclopentyl-5-methylthiophene-3-carboxamide
CID 17172985
5-ethyl-N-(pentan-2-yl)thiophene-3-carboxamide
CID 3664712
N-{[5-(2-chloropropanoyl)thiophen-2-yl]methyl}acetamide
CID 16226822
N-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4248650

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide (CID 114303260) is N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCC2CCCC2Cl)sc1C.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is WTEBGHHFPZDIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-8-6-12(17-9(8)2)13(16)15-7-10-4-3-5-11(10)14/h6,10-11H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide?
N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 271.81 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 114303260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).