N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide

C24H25NOS — CID 4511701

IUPACN-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCCc1ccc(C(C)NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NOS/c1-3-19-14-16-20(17-15-19)18(2)25-24(26)23(21-10-6-4-7-11-21)27-22-12-8-5-9-13-22/h4-18,23H,3H2,1-2H3,(H,25,26)
InChIKeyFVJUVUIMXKCMPJ-UHFFFAOYSA-N
MW375.54 g/mol
LogP5.96
Rot. Bonds7

About N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide

N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 4511701) has the molecular formula C24H25NOS and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID4511701
Molecular FormulaC24H25NOS
Molecular Weight375.54 g/mol
Exact Mass375.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCCc1ccc(C(C)NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NOS/c1-3-19-14-16-20(17-15-19)18(2)25-24(26)23(21-10-6-4-7-11-21)27-22-12-8-5-9-13-22/h4-18,23H,3H2,1-2H3,(H,25,26)
InChIKeyFVJUVUIMXKCMPJ-UHFFFAOYSA-N
XLogP5.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.54
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
CID 39964892
(2S)-N-[(2S)-heptan-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 7026339
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 2914171
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
(2S,3S)-3-hydroxy-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]butanoic acid
CID 25491475
3-amino-4-[1-(4-ethylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896081
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide (CID 4511701) is N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide is CCc1ccc(C(C)NC(=O)C(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is FVJUVUIMXKCMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NOS/c1-3-19-14-16-20(17-15-19)18(2)25-24(26)23(21-10-6-4-7-11-21)27-22-12-8-5-9-13-22/h4-18,23H,3H2,1-2H3,(H,25,26).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 375.54 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 4511701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).