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

C19H22ClNO2S — CID 19503276

IUPAC4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H22ClNO2S/c20-15-7-9-17(10-8-15)23-12-14-11-18(24-13-14)19(22)21-16-5-3-1-2-4-6-16/h7-11,13,16H,1-6,12H2,(H,21,22)
InChIKeyPMUBZSYSRCNRCZ-UHFFFAOYSA-N
MW363.91 g/mol
LogP5.43
Rot. Bonds5

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

4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide (PubChem CID 19503276) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
PubChem CID19503276
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H22ClNO2S/c20-15-7-9-17(10-8-15)23-12-14-11-18(24-13-14)19(22)21-16-5-3-1-2-4-6-16/h7-11,13,16H,1-6,12H2,(H,21,22)
InChIKeyPMUBZSYSRCNRCZ-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.91
LogP ≤ 55.43
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-cyclopropylthiophene-2-carboxamide
CID 19503287
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]-N-cyclopentylbenzamide
CID 9214566
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-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
N-cyclopentyl-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486863
4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19503369

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide (CID 19503276) is 4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide is O=C(NC1CCCCCC1)c1cc(COc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide?
The InChIKey is PMUBZSYSRCNRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c20-15-7-9-17(10-8-15)23-12-14-11-18(24-13-14)19(22)21-16-5-3-1-2-4-6-16/h7-11,13,16H,1-6,12H2,(H,21,22).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide?
4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide has a molecular weight of 363.91 g/mol, XLogP of 5.43, 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-cycloheptylthiophene-2-carboxamide is sourced from PubChem (CID 19503276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).