2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide

C20H24N2O3S — CID 2211958

IUPAC2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-15(26-14-16-8-4-3-5-9-16)19(23)22-18-11-7-6-10-17(18)20(24)21-12-13-25-2/h3-11,15H,12-14H2,1-2H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyAYAGEIXLPZSGKQ-HNNXBMFYSA-N
MW372.49 g/mol
LogP3.32
Rot. Bonds9

About 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide

2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 2211958) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID2211958
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-15(26-14-16-8-4-3-5-9-16)19(23)22-18-11-7-6-10-17(18)20(24)21-12-13-25-2/h3-11,15H,12-14H2,1-2H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyAYAGEIXLPZSGKQ-HNNXBMFYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide
CID 55778353
3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114897363
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzoic acid
CID 9349511
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1317708
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide
CID 7276350
N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 31493274
2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 2943119
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
CID 60836653
2-[2-(4-bromophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 132666482

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide (CID 2211958) is 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1.
What is the InChIKey of 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is AYAGEIXLPZSGKQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15(26-14-16-8-4-3-5-9-16)19(23)22-18-11-7-6-10-17(18)20(24)21-12-13-25-2/h3-11,15H,12-14H2,1-2H3,(H,21,24)(H,22,23)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide?
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 2211958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).