3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide

C21H22N2O5S — CID 3923334

IUPAC3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNS(=O)(=O)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C21H22N2O5S/c1-27-19-10-8-17(14-20(19)28-2)21(24)22-11-12-23-29(25,26)18-9-7-15-5-3-4-6-16(15)13-18/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyUMGLQEOWSVHJHR-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.57
Rot. Bonds8

About 3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide

3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide (PubChem CID 3923334) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide
PubChem CID3923334
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC Name3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNS(=O)(=O)c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C21H22N2O5S/c1-27-19-10-8-17(14-20(19)28-2)21(24)22-11-12-23-29(25,26)18-9-7-15-5-3-4-6-16(15)13-18/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyUMGLQEOWSVHJHR-UHFFFAOYSA-N
XLogP2.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[2-(benzenesulfonamido)ethyl]-3,5-dimethoxybenzamide
CID 108571361
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide
CID 8574875
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
CID 55948759
3,4-dimethoxy-N-[2-(3-phenylpropylsulfamoyl)ethyl]benzamide
CID 7618926
2-(3,4-dimethoxyphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 108575198
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
3-fluoro-4-methoxy-N-(2-naphthalen-2-yloxyethyl)benzamide
CID 26976673
methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
N-[2-[2-[(4-methoxyphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 33430214

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide (CID 3923334) is 3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide is COc1ccc(C(=O)NCCNS(=O)(=O)c2ccc3ccccc3c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide?
The InChIKey is UMGLQEOWSVHJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-27-19-10-8-17(14-20(19)28-2)21(24)22-11-12-23-29(25,26)18-9-7-15-5-3-4-6-16(15)13-18/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide?
3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide has a molecular weight of 414.48 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]benzamide is sourced from PubChem (CID 3923334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).