2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate

C19H21NO3S — CID 125462748

IUPAC2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate
SMILESO=C(Cc1ccccc1)NCCOC(=O)CSCc1ccccc1
InChIInChI=1S/C19H21NO3S/c21-18(13-16-7-3-1-4-8-16)20-11-12-23-19(22)15-24-14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,21)
InChIKeyRIXCELSKDYPEOL-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.82
Rot. Bonds9

About 2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate

2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate (PubChem CID 125462748) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate
PubChem CID125462748
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate
SMILESO=C(Cc1ccccc1)NCCOC(=O)CSCc1ccccc1
InChIInChI=1S/C19H21NO3S/c21-18(13-16-7-3-1-4-8-16)20-11-12-23-19(22)15-24-14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,21)
InChIKeyRIXCELSKDYPEOL-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
CID 30349604
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
CID 101151355
2-acetamidoethyl 2-phenylacetate
CID 139889118
2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 3774392
2-[(2-phenylacetyl)amino]ethyl 2,2-dimethylbutanoate
CID 159462856
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
2-[[3-[3-[(2-phenylacetyl)amino]propanoylamino]phenyl]methylsulfanyl]acetic acid
CID 119240599
N-(2-benzylsulfanylethyl)-2-(2-nitrophenyl)acetamide
CID 4016425
ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279569

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate?
The IUPAC name of 2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate (CID 125462748) is 2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate?
The canonical SMILES for 2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate is O=C(Cc1ccccc1)NCCOC(=O)CSCc1ccccc1.
What is the InChIKey of 2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate?
The InChIKey is RIXCELSKDYPEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-18(13-16-7-3-1-4-8-16)20-11-12-23-19(22)15-24-14-17-9-5-2-6-10-17/h1-10H,11-15H2,(H,20,21).
What are the key properties of 2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate?
2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate has a molecular weight of 343.45 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]ethyl 2-benzylsulfanylacetate is sourced from PubChem (CID 125462748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).