N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide

C11H16ClNO2S — CID 107321593

IUPACN-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCCCCCl)c1
InChIInChI=1S/C11H16ClNO2S/c1-15-9-7-10(16-8-9)11(14)13-6-4-2-3-5-12/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeySBELYAGUIROQDX-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.90
Rot. Bonds7

About N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide

N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide (PubChem CID 107321593) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
PubChem CID107321593
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC NameN-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCCCCCCl)c1
InChIInChI=1S/C11H16ClNO2S/c1-15-9-7-10(16-8-9)11(14)13-6-4-2-3-5-12/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeySBELYAGUIROQDX-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
CID 107847519
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 107233415
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 103800830
N-[(E)-4-chlorobut-2-enyl]-4-methoxythiophene-2-carboxamide
CID 81429900
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114758141
N-[3-(4-aminocyclohexyl)oxypropyl]-4-methoxythiophene-2-carboxamide
CID 81121283
2-chloro-1-(4-methoxythiophen-2-yl)ethanone
CID 81140445
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 113258486

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide (CID 107321593) is N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCCCCCCl)c1.
What is the InChIKey of N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide?
The InChIKey is SBELYAGUIROQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-15-9-7-10(16-8-9)11(14)13-6-4-2-3-5-12/h7-8H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide?
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide has a molecular weight of 261.77 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 107321593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).