N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide

C23H25NO2S — CID 19489010

IUPACN-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(C)c(OCc2csc(C(=O)Nc3ccc(C)c(C)c3)c2)c1
InChIInChI=1S/C23H25NO2S/c1-14-8-17(4)18(5)21(9-14)26-12-19-11-22(27-13-19)23(25)24-20-7-6-15(2)16(3)10-20/h6-11,13H,12H2,1-5H3,(H,24,25)
InChIKeyARUDNGCHQOBUJS-UHFFFAOYSA-N
MW379.53 g/mol
LogP6.12
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide

N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19489010) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19489010
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC NameN-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(C)c(OCc2csc(C(=O)Nc3ccc(C)c(C)c3)c2)c1
InChIInChI=1S/C23H25NO2S/c1-14-8-17(4)18(5)21(9-14)26-12-19-11-22(27-13-19)23(25)24-20-7-6-15(2)16(3)10-20/h6-11,13H,12H2,1-5H3,(H,24,25)
InChIKeyARUDNGCHQOBUJS-UHFFFAOYSA-N
XLogP6.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
4-[(2,5-dimethylphenoxy)methyl]-N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19471754
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471601
4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19495261
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490756
N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489061
N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501156
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471677
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489124
N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486859

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19489010) is N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide is Cc1cc(C)c(C)c(OCc2csc(C(=O)Nc3ccc(C)c(C)c3)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is ARUDNGCHQOBUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-14-8-17(4)18(5)21(9-14)26-12-19-11-22(27-13-19)23(25)24-20-7-6-15(2)16(3)10-20/h6-11,13H,12H2,1-5H3,(H,24,25).
What are the key properties of N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19489010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).