4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide

C23H25NO2S — CID 19471879

IUPAC4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide
SMILESCCC(NC(=O)c1cc(COc2ccc(C)c(C)c2)cs1)c1ccccc1
InChIInChI=1S/C23H25NO2S/c1-4-21(19-8-6-5-7-9-19)24-23(25)22-13-18(15-27-22)14-26-20-11-10-16(2)17(3)12-20/h5-13,15,21H,4,14H2,1-3H3,(H,24,25)
InChIKeyCUQNLOMGHHSUOS-UHFFFAOYSA-N
MW379.53 g/mol
LogP5.83
Rot. Bonds7

About 4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide

4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide (PubChem CID 19471879) has the molecular formula C23H25NO2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide
PubChem CID19471879
Molecular FormulaC23H25NO2S
Molecular Weight379.53 g/mol
Exact Mass379.16
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide
SMILESCCC(NC(=O)c1cc(COc2ccc(C)c(C)c2)cs1)c1ccccc1
InChIInChI=1S/C23H25NO2S/c1-4-21(19-8-6-5-7-9-19)24-23(25)22-13-18(15-27-22)14-26-20-11-10-16(2)17(3)12-20/h5-13,15,21H,4,14H2,1-3H3,(H,24,25)
InChIKeyCUQNLOMGHHSUOS-UHFFFAOYSA-N
XLogP5.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.83
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
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19500919
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19484847
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
(4-benzylpiperazin-1-yl)-[4-[(3,4-dimethylphenoxy)methyl]thiophen-2-yl]methanone
CID 19471815
N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490853
4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19483323
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
4-[(2,5-dimethylphenoxy)methyl]-N-propan-2-ylthiophene-2-carboxamide
CID 19471659
N-(1-phenylethyl)-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophene-2-carboxamide
CID 19484709
N-[1-(2,4-dimethylphenyl)ethyl]-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471501
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide
CID 100568849

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide (CID 19471879) is 4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide is CCC(NC(=O)c1cc(COc2ccc(C)c(C)c2)cs1)c1ccccc1.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide?
The InChIKey is CUQNLOMGHHSUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2S/c1-4-21(19-8-6-5-7-9-19)24-23(25)22-13-18(15-27-22)14-26-20-11-10-16(2)17(3)12-20/h5-13,15,21H,4,14H2,1-3H3,(H,24,25).
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide?
4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-N-(1-phenylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 19471879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).