2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide

C16H18N2O3S2 — CID 2882384

IUPAC2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCCNS(=O)(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H18N2O3S2/c19-16(18-14-7-3-1-4-8-14)13-22-12-11-17-23(20,21)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,18,19)
InChIKeyTUJHYFBNXOOZDN-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.34
Rot. Bonds8

About 2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide

2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide (PubChem CID 2882384) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide
PubChem CID2882384
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCCNS(=O)(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H18N2O3S2/c19-16(18-14-7-3-1-4-8-14)13-22-12-11-17-23(20,21)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,18,19)
InChIKeyTUJHYFBNXOOZDN-UHFFFAOYSA-N
XLogP2.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide (CID 2882384) is 2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide is O=C(CSCCNS(=O)(=O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide?
The InChIKey is TUJHYFBNXOOZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c19-16(18-14-7-3-1-4-8-14)13-22-12-11-17-23(20,21)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,18,19).
What are the key properties of 2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide?
2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide has a molecular weight of 350.47 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonamido)ethylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2882384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).