4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide

C19H22ClNO2S — CID 19505128

IUPAC4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(COc2cccc(Cl)c2)cs1
InChIInChI=1S/C19H22ClNO2S/c20-15-6-5-9-17(11-15)23-12-14-10-18(24-13-14)19(22)21-16-7-3-1-2-4-8-16/h5-6,9-11,13,16H,1-4,7-8,12H2,(H,21,22)
InChIKeyBEYUJTPVDUJXOA-UHFFFAOYSA-N
MW363.91 g/mol
LogP5.43
Rot. Bonds5

About 4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide

4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide (PubChem CID 19505128) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
PubChem CID19505128
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc(COc2cccc(Cl)c2)cs1
InChIInChI=1S/C19H22ClNO2S/c20-15-6-5-9-17(11-15)23-12-14-10-18(24-13-14)19(22)21-16-7-3-1-2-4-8-16/h5-6,9-11,13,16H,1-4,7-8,12H2,(H,21,22)
InChIKeyBEYUJTPVDUJXOA-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-[(3-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 19505245
4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
CID 19503355
4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19503276
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-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
N-cyclopentyl-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486863
4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505218
4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19505101
4-[(3-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 19505193
N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505153

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide?
The IUPAC name of 4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide (CID 19505128) is 4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide?
The canonical SMILES for 4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide is O=C(NC1CCCCCC1)c1cc(COc2cccc(Cl)c2)cs1.
What is the InChIKey of 4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide?
The InChIKey is BEYUJTPVDUJXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c20-15-6-5-9-17(11-15)23-12-14-10-18(24-13-14)19(22)21-16-7-3-1-2-4-8-16/h5-6,9-11,13,16H,1-4,7-8,12H2,(H,21,22).
What are the key properties of 4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide?
4-[(3-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-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide is sourced from PubChem (CID 19505128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).