N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide

C14H14ClNO2S — CID 114302940

IUPACN-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccsc2)cc1CCl
InChIInChI=1S/C14H14ClNO2S/c1-2-18-13-4-3-12(7-11(13)8-15)16-14(17)10-5-6-19-9-10/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyYWEAUZWNXCBCMW-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.14
Rot. Bonds5

About N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide

N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide (PubChem CID 114302940) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
PubChem CID114302940
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccsc2)cc1CCl
InChIInChI=1S/C14H14ClNO2S/c1-2-18-13-4-3-12(7-11(13)8-15)16-14(17)10-5-6-19-9-10/h3-7,9H,2,8H2,1H3,(H,16,17)
InChIKeyYWEAUZWNXCBCMW-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide
CID 104672631
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
4,5-dibromo-N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-2-carboxamide
CID 114302887
5-chloro-N-[3-(chloromethyl)-4-ethoxyphenyl]furan-2-carboxamide
CID 106690004
N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methylfuran-2-carboxamide
CID 114302970
N-[3-(chloromethyl)-4-ethoxyphenyl]-3,3-dimethylbutanamide
CID 114302982
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
tert-butyl N-[3-(chloromethyl)-4-ethoxyphenyl]carbamate
CID 114302920
N-[3-(chloromethyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 114302888
N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
CID 114313641
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-iodothiophene-3-carboxamide
CID 79693780

Frequently Asked Questions

What is the IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide (CID 114302940) is N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide is CCOc1ccc(NC(=O)c2ccsc2)cc1CCl.
What is the InChIKey of N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide?
The InChIKey is YWEAUZWNXCBCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-2-18-13-4-3-12(7-11(13)8-15)16-14(17)10-5-6-19-9-10/h3-7,9H,2,8H2,1H3,(H,16,17).
What are the key properties of N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide?
N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide has a molecular weight of 295.79 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide is sourced from PubChem (CID 114302940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).