(2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide

C20H26N2OS — CID 8000313

IUPAC(2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)NCCCSc2ccccc2)cc1
InChIInChI=1S/C20H26N2OS/c1-3-17-10-12-18(13-11-17)22-20(23)16(2)21-14-7-15-24-19-8-5-4-6-9-19/h4-6,8-13,16,21H,3,7,14-15H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyZLMHVOUYKWLYJI-INIZCTEOSA-N
MW342.51 g/mol
LogP4.35
Rot. Bonds9

About (2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide

(2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide (PubChem CID 8000313) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is (2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide
PubChem CID8000313
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name(2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)NCCCSc2ccccc2)cc1
InChIInChI=1S/C20H26N2OS/c1-3-17-10-12-18(13-11-17)22-20(23)16(2)21-14-7-15-24-19-8-5-4-6-9-19/h4-6,8-13,16,21H,3,7,14-15H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyZLMHVOUYKWLYJI-INIZCTEOSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
2-(octylamino)-N-phenylpropanamide
CID 78914372
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 25431954
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
(2R)-N-(4-acetylphenyl)-2-(2-phenylethylamino)propanamide
CID 2437197
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
2-(pent-4-ynylamino)-N-phenylpropanamide
CID 103711267
N-(ethylcarbamoyl)-2-(2-phenylsulfanylethylamino)propanamide
CID 60673400
2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290
2-(3-cyclopropylpropylamino)-N-phenylpropanamide
CID 115638960
1-(4-ethylphenyl)-2-(2-phenylsulfanylethyl)guanidine
CID 111033070

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide?
The IUPAC name of (2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide (CID 8000313) is (2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide.
What is the SMILES notation for (2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide?
The canonical SMILES for (2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide is CCc1ccc(NC(=O)[C@H](C)NCCCSc2ccccc2)cc1.
What is the InChIKey of (2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide?
The InChIKey is ZLMHVOUYKWLYJI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-3-17-10-12-18(13-11-17)22-20(23)16(2)21-14-7-15-24-19-8-5-4-6-9-19/h4-6,8-13,16,21H,3,7,14-15H2,1-2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide?
(2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide has a molecular weight of 342.51 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethylphenyl)-2-(3-phenylsulfanylpropylamino)propanamide is sourced from PubChem (CID 8000313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).