4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide

C15H14ClNO2S — CID 19503287

IUPAC4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H14ClNO2S/c16-11-1-5-13(6-2-11)19-8-10-7-14(20-9-10)15(18)17-12-3-4-12/h1-2,5-7,9,12H,3-4,8H2,(H,17,18)
InChIKeyHMYJZAMVWPWDKJ-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.87
Rot. Bonds5

About 4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide

4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide (PubChem CID 19503287) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
PubChem CID19503287
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C15H14ClNO2S/c16-11-1-5-13(6-2-11)19-8-10-7-14(20-9-10)15(18)17-12-3-4-12/h1-2,5-7,9,12H,3-4,8H2,(H,17,18)
InChIKeyHMYJZAMVWPWDKJ-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
CID 19503355
4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19503276
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499174
N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499225
4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19505128
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
4-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620576
4-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 19505245
N-(1-methylpiperidin-4-yl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19500840
4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359
4-[(4-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
CID 19469556
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide (CID 19503287) is 4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide is O=C(NC1CC1)c1cc(COc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is HMYJZAMVWPWDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c16-11-1-5-13(6-2-11)19-8-10-7-14(20-9-10)15(18)17-12-3-4-12/h1-2,5-7,9,12H,3-4,8H2,(H,17,18).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide?
4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 307.80 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 19503287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).