4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide

C17H20ClNO2S — CID 19483323

IUPAC4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCc1cc(OCc2csc(C(=O)NCC(C)C)c2)ccc1Cl
InChIInChI=1S/C17H20ClNO2S/c1-11(2)8-19-17(20)16-7-13(10-22-16)9-21-14-4-5-15(18)12(3)6-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyFZPFFOSRRAVMFH-UHFFFAOYSA-N
MW337.87 g/mol
LogP4.67
Rot. Bonds6

About 4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide

4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 19483323) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID19483323
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Name4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCc1cc(OCc2csc(C(=O)NCC(C)C)c2)ccc1Cl
InChIInChI=1S/C17H20ClNO2S/c1-11(2)8-19-17(20)16-7-13(10-22-16)9-21-14-4-5-15(18)12(3)6-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
InChIKeyFZPFFOSRRAVMFH-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chloro-5-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19488817
4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 19483266
4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19483311
4-[(4-chloro-3-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
CID 19483426
4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 19483446
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492957
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19483292
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19483383
N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19483406
3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide
CID 12941943
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484549

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide (CID 19483323) is 4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide is Cc1cc(OCc2csc(C(=O)NCC(C)C)c2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is FZPFFOSRRAVMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-11(2)8-19-17(20)16-7-13(10-22-16)9-21-14-4-5-15(18)12(3)6-14/h4-7,10-11H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 337.87 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 19483323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).