3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide

C20H19NO2S — CID 59152264

IUPAC3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C20H19NO2S/c1-23-17-9-7-15(8-10-17)19-13-11-18(24-19)12-14-20(22)21-16-5-3-2-4-6-16/h2-11,13H,12,14H2,1H3,(H,21,22)
InChIKeyFIKJYDHFDPCQQR-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.99
Rot. Bonds6

About 3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide

3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide (PubChem CID 59152264) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide
PubChem CID59152264
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C20H19NO2S/c1-23-17-9-7-15(8-10-17)19-13-11-18(24-19)12-14-20(22)21-16-5-3-2-4-6-16/h2-11,13H,12,14H2,1H3,(H,21,22)
InChIKeyFIKJYDHFDPCQQR-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-[5-(4-methoxyphenyl)thiophen-2-yl]propanamide
CID 59152235
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17359922
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460
3-hydroxy-5-(4-methoxyphenyl)-N-phenylthiophene-2-carboxamide
CID 155806102
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
3-(4-methoxyphenyl)-N-[4-(thiadiazol-5-yl)phenyl]propanamide
CID 112532794
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide?
The IUPAC name of 3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide (CID 59152264) is 3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide is COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3)s2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide?
The InChIKey is FIKJYDHFDPCQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-23-17-9-7-15(8-10-17)19-13-11-18(24-19)12-14-20(22)21-16-5-3-2-4-6-16/h2-11,13H,12,14H2,1H3,(H,21,22).
What are the key properties of 3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide?
3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide has a molecular weight of 337.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)thiophen-2-yl]-N-phenylpropanamide is sourced from PubChem (CID 59152264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).