2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide

C17H21N3O5S2 — CID 166212100

IUPAC2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H21N3O5S2/c21-17(13-20-27(24,25)16-9-5-2-6-10-16)18-11-12-19-26(22,23)14-15-7-3-1-4-8-15/h1-10,19-20H,11-14H2,(H,18,21)
InChIKeySJFQYQKHXDYVNX-UHFFFAOYSA-N
MW411.51 g/mol
LogP0.20
Rot. Bonds10

About 2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide

2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide (PubChem CID 166212100) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide
PubChem CID166212100
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC Name2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCCNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H21N3O5S2/c21-17(13-20-27(24,25)16-9-5-2-6-10-16)18-11-12-19-26(22,23)14-15-7-3-1-4-8-15/h1-10,19-20H,11-14H2,(H,18,21)
InChIKeySJFQYQKHXDYVNX-UHFFFAOYSA-N
XLogP0.20
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-(benzenesulfonamido)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
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3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
CID 66166438
N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide
CID 2190794
2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 110446210
benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate
CID 24643715
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CID 110446219

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide (CID 166212100) is 2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide is O=C(CNS(=O)(=O)c1ccccc1)NCCNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide?
The InChIKey is SJFQYQKHXDYVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c21-17(13-20-27(24,25)16-9-5-2-6-10-16)18-11-12-19-26(22,23)14-15-7-3-1-4-8-15/h1-10,19-20H,11-14H2,(H,18,21).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide?
2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide has a molecular weight of 411.51 g/mol, XLogP of 0.20, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 166212100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).