N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide

C20H26N2O4S — CID 51217403

IUPACN-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-16(2)22(15-17-9-7-6-8-10-17)20(23)18-11-13-19(14-12-18)27(24,25)21(3)26-4/h6-14,16H,5,15H2,1-4H3
InChIKeyMHYLYKQTYBHMER-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.31
Rot. Bonds8

About N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide

N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 51217403) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID51217403
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1
InChIInChI=1S/C20H26N2O4S/c1-5-16(2)22(15-17-9-7-6-8-10-17)20(23)18-11-13-19(14-12-18)27(24,25)21(3)26-4/h6-14,16H,5,15H2,1-4H3
InChIKeyMHYLYKQTYBHMER-UHFFFAOYSA-N
XLogP3.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.31
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-benzyl-N-butan-2-yl-4-(ethylsulfamoyl)benzamide
CID 56536430
N-benzyl-N-butan-2-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 56536537
benzyl(butan-2-yl)carbamic acid
CID 18954164
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 26722330
N-benzyl-N-butan-2-yl-3-(ethylsulfamoyl)benzamide
CID 56536496
N-[(2-chlorophenyl)methyl]-N-ethyl-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55594429
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603
[3-[[[(2S)-butan-2-yl]-(4-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 7356679
2-[butan-2-yl-(4-propan-2-ylsulfonylbenzoyl)amino]acetic acid
CID 119954717
N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628
N-benzyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 9098551

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide (CID 51217403) is N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide is CCC(C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N(C)OC)cc1.
What is the InChIKey of N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is MHYLYKQTYBHMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-5-16(2)22(15-17-9-7-6-8-10-17)20(23)18-11-13-19(14-12-18)27(24,25)21(3)26-4/h6-14,16H,5,15H2,1-4H3.
What are the key properties of N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide?
N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-4-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 51217403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).