N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide

C14H14ClNO2S — CID 107233415

IUPACN-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2ccc(CCl)cc2)c1
InChIInChI=1S/C14H14ClNO2S/c1-18-12-6-13(19-9-12)14(17)16-8-11-4-2-10(7-15)3-5-11/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyAMIHJNFJRQSEHZ-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.43
Rot. Bonds5

About N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide

N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide (PubChem CID 107233415) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
PubChem CID107233415
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
SMILESCOc1csc(C(=O)NCc2ccc(CCl)cc2)c1
InChIInChI=1S/C14H14ClNO2S/c1-18-12-6-13(19-9-12)14(17)16-8-11-4-2-10(7-15)3-5-11/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyAMIHJNFJRQSEHZ-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-carbamothioylphenyl)methyl]-4-methoxythiophene-2-carboxamide
CID 81122140
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 79465874
N-[(E)-4-chlorobut-2-enyl]-4-methoxythiophene-2-carboxamide
CID 81429900
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 81117472
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114758141
N-[(4-chlorocyclohexyl)methyl]-4-methoxythiophene-2-carboxamide
CID 114147866
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 81126813

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide (CID 107233415) is N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide is COc1csc(C(=O)NCc2ccc(CCl)cc2)c1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide?
The InChIKey is AMIHJNFJRQSEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-18-12-6-13(19-9-12)14(17)16-8-11-4-2-10(7-15)3-5-11/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide?
N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide has a molecular weight of 295.79 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 107233415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).