3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide

C21H21NO2S — CID 8854024

IUPAC3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C21H21NO2S/c1-24-18-12-9-16(10-13-18)11-14-20(23)22-21(19-8-5-15-25-19)17-6-3-2-4-7-17/h2-10,12-13,15,21H,11,14H2,1H3,(H,22,23)/t21-/m0/s1
InChIKeyMDPNBTBXRXNMRG-NRFANRHFSA-N
MW351.47 g/mol
LogP4.60
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide (PubChem CID 8854024) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
PubChem CID8854024
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C21H21NO2S/c1-24-18-12-9-16(10-13-18)11-14-20(23)22-21(19-8-5-15-25-19)17-6-3-2-4-7-17/h2-10,12-13,15,21H,11,14H2,1H3,(H,22,23)/t21-/m0/s1
InChIKeyMDPNBTBXRXNMRG-NRFANRHFSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 18275719
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 95967214
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
3-[3-(4-methoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218911
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
3-(2-methoxyphenyl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 24613748
methyl 3-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylpropanoate
CID 9344511
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide (CID 8854024) is 3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide is COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2cccs2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
The InChIKey is MDPNBTBXRXNMRG-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-24-18-12-9-16(10-13-18)11-14-20(23)22-21(19-8-5-15-25-19)17-6-3-2-4-7-17/h2-10,12-13,15,21H,11,14H2,1H3,(H,22,23)/t21-/m0/s1.
What are the key properties of 3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide?
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide has a molecular weight of 351.47 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 8854024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).