(2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide

C22H28N2O2S — CID 95767147

IUPAC(2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide
SMILESCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCCSCc1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-2-9-20(24-21(25)16-18-10-5-3-6-11-18)22(26)23-14-15-27-17-19-12-7-4-8-13-19/h3-8,10-13,20H,2,9,14-17H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1
InChIKeyTWSKEYIKKLTVOM-HXUWFJFHSA-N
MW384.54 g/mol
LogP3.56
Rot. Bonds11

About (2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide

(2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide (PubChem CID 95767147) has the molecular formula C22H28N2O2S and a molecular weight of 384.54 g/mol. Its IUPAC name is (2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide.

Molecular Properties

Compound Name(2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide
PubChem CID95767147
Molecular FormulaC22H28N2O2S
Molecular Weight384.54 g/mol
Exact Mass384.19
IUPAC Name(2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide
SMILESCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCCSCc1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-2-9-20(24-21(25)16-18-10-5-3-6-11-18)22(26)23-14-15-27-17-19-12-7-4-8-13-19/h3-8,10-13,20H,2,9,14-17H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1
InChIKeyTWSKEYIKKLTVOM-HXUWFJFHSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 53.56
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

(2R)-2-[(2-benzylsulfanylacetyl)amino]pentanoic acid
CID 93252347
1-(2-benzylsulfanylethyl)-3-propylurea
CID 94870511
N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
CID 111118110
3-benzylsulfanyl-N-propylpropanamide
CID 8797529
2-[(2-phenylacetyl)amino]-N-(thian-4-yl)pentanamide
CID 56788135
benzyl (4R)-5-(butylamino)-5-oxo-4-[(2-phenylacetyl)amino]pentanoate
CID 7233021
(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide
CID 28579105
N-(3,3-diphenylpropyl)-3-phenyl-2-[(2-phenylacetyl)amino]propanamide
CID 42696967
N-(2-benzylsulfanylethyl)-2-(4-chlorophenyl)sulfanylbutanamide
CID 43905507
N-hexan-3-yl-2-phenylacetamide
CID 129166933
(2S)-2-[(2-benzylsulfanylacetyl)amino]hexanoic acid
CID 107143903
1-(2-benzylsulfanylethyl)-3-(2,6-diethylphenyl)thiourea
CID 3582035

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide?
The IUPAC name of (2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide (CID 95767147) is (2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide.
What is the SMILES notation for (2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide?
The canonical SMILES for (2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide is CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)NCCSCc1ccccc1.
What is the InChIKey of (2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide?
The InChIKey is TWSKEYIKKLTVOM-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-2-9-20(24-21(25)16-18-10-5-3-6-11-18)22(26)23-14-15-27-17-19-12-7-4-8-13-19/h3-8,10-13,20H,2,9,14-17H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1.
What are the key properties of (2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide?
(2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide has a molecular weight of 384.54 g/mol, XLogP of 3.56, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzylsulfanylethyl)-2-[(2-phenylacetyl)amino]pentanamide is sourced from PubChem (CID 95767147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).