3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide

C19H25N3O4S — CID 119503968

IUPAC3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C19H25N3O4S/c1-20-11-12-21-19(23)16-9-10-17(26-3)18(13-16)27(24,25)22(2)14-15-7-5-4-6-8-15/h4-10,13,20H,11-12,14H2,1-3H3,(H,21,23)
InChIKeyGMNZHPALEZGXBD-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.47
Rot. Bonds9

About 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide

3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide (PubChem CID 119503968) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
PubChem CID119503968
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C19H25N3O4S/c1-20-11-12-21-19(23)16-9-10-17(26-3)18(13-16)27(24,25)22(2)14-15-7-5-4-6-8-15/h4-10,13,20H,11-12,14H2,1-3H3,(H,21,23)
InChIKeyGMNZHPALEZGXBD-UHFFFAOYSA-N
XLogP1.47
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.47
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

3-[benzyl(methyl)sulfamoyl]-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methoxybenzamide
CID 55361577
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 55387091
N-[3-[benzyl(methyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26945772
3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 40984734
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 4789084

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide (CID 119503968) is 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide is CNCCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is GMNZHPALEZGXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-20-11-12-21-19(23)16-9-10-17(26-3)18(13-16)27(24,25)22(2)14-15-7-5-4-6-8-15/h4-10,13,20H,11-12,14H2,1-3H3,(H,21,23).
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide?
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 391.49 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 119503968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).