N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide

C20H18ClNO2S — CID 19492957

IUPACN-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C20H18ClNO2S/c1-14-6-8-17(9-7-14)24-12-15-10-19(25-13-15)20(23)22-11-16-4-2-3-5-18(16)21/h2-10,13H,11-12H2,1H3,(H,22,23)
InChIKeyHRFOSOXUVRHKKJ-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.22
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide

N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19492957) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19492957
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1ccc(OCc2csc(C(=O)NCc3ccccc3Cl)c2)cc1
InChIInChI=1S/C20H18ClNO2S/c1-14-6-8-17(9-7-14)24-12-15-10-19(25-13-15)20(23)22-11-16-4-2-3-5-18(16)21/h2-10,13H,11-12H2,1H3,(H,22,23)
InChIKeyHRFOSOXUVRHKKJ-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
CID 19498980
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490881
N-(2-benzoyl-4-chlorophenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492917
4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19483323
N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883
N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469549
N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484549
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19493100
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19493011
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491112

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19492957) is N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide is Cc1ccc(OCc2csc(C(=O)NCc3ccccc3Cl)c2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is HRFOSOXUVRHKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c1-14-6-8-17(9-7-14)24-12-15-10-19(25-13-15)20(23)22-11-16-4-2-3-5-18(16)21/h2-10,13H,11-12H2,1H3,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide?
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19492957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).