N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C24H25NO3S — CID 46433418

IUPACN-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCCOc1ccc(C(NC(=O)CCC(=O)c2ccc(C)s2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3S/c1-3-28-20-12-10-19(11-13-20)24(18-7-5-4-6-8-18)25-23(27)16-14-21(26)22-15-9-17(2)29-22/h4-13,15,24H,3,14,16H2,1-2H3,(H,25,27)
InChIKeyVFYZMBONTUQXEK-UHFFFAOYSA-N
MW407.54 g/mol
LogP5.32
Rot. Bonds9

About N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 46433418) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID46433418
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC NameN-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCCOc1ccc(C(NC(=O)CCC(=O)c2ccc(C)s2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3S/c1-3-28-20-12-10-19(11-13-20)24(18-7-5-4-6-8-18)25-23(27)16-14-21(26)22-15-9-17(2)29-22/h4-13,15,24H,3,14,16H2,1-2H3,(H,25,27)
InChIKeyVFYZMBONTUQXEK-UHFFFAOYSA-N
XLogP5.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24641645
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55675013
N-[1-(2-methoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 24544894
4-(5-methylthiophen-2-yl)-4-oxo-N-[1-(3-propan-2-yloxyphenyl)ethyl]butanamide
CID 55713603
N-[1-(2-bromophenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18111919
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-5-methylthiophene-2-carboxamide
CID 16561484
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7523750
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46474166
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18116629
methyl 3-methyl-2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]butanoate
CID 86977893
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 30390615

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 46433418) is N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is CCOc1ccc(C(NC(=O)CCC(=O)c2ccc(C)s2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is VFYZMBONTUQXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-3-28-20-12-10-19(11-13-20)24(18-7-5-4-6-8-18)25-23(27)16-14-21(26)22-15-9-17(2)29-22/h4-13,15,24H,3,14,16H2,1-2H3,(H,25,27).
What are the key properties of N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 407.54 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-phenylmethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 46433418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).