N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide

C23H25NO3S — CID 19484576

IUPACN-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(COc2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C23H25NO3S/c1-15(2)18-6-8-19(9-7-18)27-13-17-12-22(28-14-17)23(25)24-20-11-16(3)5-10-21(20)26-4/h5-12,14-15H,13H2,1-4H3,(H,24,25)
InChIKeyMATAFGFUZQCEOF-UHFFFAOYSA-N
MW395.52 g/mol
LogP6.02
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide

N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19484576) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19484576
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(COc2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C23H25NO3S/c1-15(2)18-6-8-19(9-7-18)27-13-17-12-22(28-14-17)23(25)24-20-11-16(3)5-10-21(20)26-4/h5-12,14-15H,13H2,1-4H3,(H,24,25)
InChIKeyMATAFGFUZQCEOF-UHFFFAOYSA-N
XLogP6.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484551
4-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-carboxamide
CID 19503392
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
N-(2-methoxy-5-methylphenyl)-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484703
N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484567
N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495432
N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883
N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19497119
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 40696696
N-[2-(difluoromethoxy)-5-methylphenyl]-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498820
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484549
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19493011

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide (CID 19484576) is N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(COc2ccc(C(C)C)cc2)cs1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is MATAFGFUZQCEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3S/c1-15(2)18-6-8-19(9-7-18)27-13-17-12-22(28-14-17)23(25)24-20-11-16(3)5-10-21(20)26-4/h5-12,14-15H,13H2,1-4H3,(H,24,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 395.52 g/mol, XLogP of 6.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19484576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).