N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide

C21H21NOS — CID 7669881

IUPACN-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
SMILESCCc1ccc([C@@H](NC(=O)Cc2ccccc2)c2cccs2)cc1
InChIInChI=1S/C21H21NOS/c1-2-16-10-12-18(13-11-16)21(19-9-6-14-24-19)22-20(23)15-17-7-4-3-5-8-17/h3-14,21H,2,15H2,1H3,(H,22,23)/t21-/m1/s1
InChIKeyJAHKSISAVYMQSI-OAQYLSRUSA-N
MW335.47 g/mol
LogP4.76
Rot. Bonds6

About N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide

N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide (PubChem CID 7669881) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
PubChem CID7669881
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC NameN-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
SMILESCCc1ccc([C@@H](NC(=O)Cc2ccccc2)c2cccs2)cc1
InChIInChI=1S/C21H21NOS/c1-2-16-10-12-18(13-11-16)21(19-9-6-14-24-19)22-20(23)15-17-7-4-3-5-8-17/h3-14,21H,2,15H2,1H3,(H,22,23)/t21-/m1/s1
InChIKeyJAHKSISAVYMQSI-OAQYLSRUSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(carbamoylamino)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 41306258
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7669917
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide
CID 7669993
2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41392516
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 46449917
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55575513
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55499002
3-(1,3-benzodioxol-5-yl)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]propanamide
CID 36614749
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 46572832
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-(4-methylphenyl)acetate
CID 46611974
2-(2-fluorophenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8854118

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide?
The IUPAC name of N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide (CID 7669881) is N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide?
The canonical SMILES for N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide is CCc1ccc([C@@H](NC(=O)Cc2ccccc2)c2cccs2)cc1.
What is the InChIKey of N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide?
The InChIKey is JAHKSISAVYMQSI-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21NOS/c1-2-16-10-12-18(13-11-16)21(19-9-6-14-24-19)22-20(23)15-17-7-4-3-5-8-17/h3-14,21H,2,15H2,1H3,(H,22,23)/t21-/m1/s1.
What are the key properties of N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide?
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide has a molecular weight of 335.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide is sourced from PubChem (CID 7669881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).