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

C20H18ClNO2S — CID 19491160

IUPACN-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cccc(OCc2csc(C(=O)Nc3ccc(C)c(Cl)c3)c2)c1
InChIInChI=1S/C20H18ClNO2S/c1-13-4-3-5-17(8-13)24-11-15-9-19(25-12-15)20(23)22-16-7-6-14(2)18(21)10-16/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyRWZXQJRGIWONBV-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.85
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19491160) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19491160
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC NameN-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cccc(OCc2csc(C(=O)Nc3ccc(C)c(Cl)c3)c2)c1
InChIInChI=1S/C20H18ClNO2S/c1-13-4-3-5-17(8-13)24-11-15-9-19(25-12-15)20(23)22-16-7-6-14(2)18(21)10-16/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyRWZXQJRGIWONBV-UHFFFAOYSA-N
XLogP5.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19505455
N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907
N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490853
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
N-butyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491241
N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505153
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471677
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19491160) is N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide is Cc1cccc(OCc2csc(C(=O)Nc3ccc(C)c(Cl)c3)c2)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is RWZXQJRGIWONBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c1-13-4-3-5-17(8-13)24-11-15-9-19(25-12-15)20(23)22-16-7-6-14(2)18(21)10-16/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide?
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19491160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).