2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide

C17H19ClN2O4S — CID 18168976

IUPAC2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide
SMILESCCONC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-2-24-19-17(21)13-20(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(18)9-11-16/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyQTPSCLQNDZOFIQ-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.60
Rot. Bonds8

About 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide (PubChem CID 18168976) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide.

Molecular Properties

Compound Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide
PubChem CID18168976
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide
SMILESCCONC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-2-24-19-17(21)13-20(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(18)9-11-16/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyQTPSCLQNDZOFIQ-UHFFFAOYSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide
CID 24550332
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 21380398
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2878766
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 22781566
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 21380315
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 2918788
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-ethylacetamide
CID 3136902
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4694815
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2293122
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4880323

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide?
The IUPAC name of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide (CID 18168976) is 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide.
What is the SMILES notation for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide?
The canonical SMILES for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide is CCONC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide?
The InChIKey is QTPSCLQNDZOFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-2-24-19-17(21)13-20(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(18)9-11-16/h3-11H,2,12-13H2,1H3,(H,19,21).
What are the key properties of 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide?
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide has a molecular weight of 382.87 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-ethoxyacetamide is sourced from PubChem (CID 18168976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).