N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide

C18H21ClN2O4S — CID 55594429

IUPACN-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-21(13-15-7-5-6-8-17(15)19)18(22)14-9-11-16(12-10-14)26(23,24)20(2)25-3/h5-12H,4,13H2,1-3H3
InChIKeyLUWTUENTODSOBU-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.18
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide

N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 55594429) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID55594429
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-4-21(13-15-7-5-6-8-17(15)19)18(22)14-9-11-16(12-10-14)26(23,24)20(2)25-3/h5-12H,4,13H2,1-3H3
InChIKeyLUWTUENTODSOBU-UHFFFAOYSA-N
XLogP3.18
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 27773732
N-[(2-chlorophenyl)methyl]-N-ethyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55593512
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217403
4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
CID 107074472
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551
N-[(2-ethoxyphenyl)methyl]-N-ethyl-4-methylsulfonylbenzamide
CID 46987200
N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide
CID 60566746
4-[methoxy(methyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 8927243
4-[methoxy(methyl)sulfamoyl]-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
CID 55892850
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191
N-[(2-chlorophenyl)methyl]-N-ethyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103612417

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide (CID 55594429) is N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide is CCN(Cc1ccccc1Cl)C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is LUWTUENTODSOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-4-21(13-15-7-5-6-8-17(15)19)18(22)14-9-11-16(12-10-14)26(23,24)20(2)25-3/h5-12H,4,13H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide?
N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 396.90 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55594429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).