N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide

C23H25N3O5S2 — CID 41113907

IUPACN-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C23H25N3O5S2/c1-17(18-12-14-21(15-13-18)32(24,28)29)25(2)23(27)19-8-7-11-22(16-19)33(30,31)26(3)20-9-5-4-6-10-20/h4-17H,1-3H3,(H2,24,28,29)/t17-/m1/s1
InChIKeyYPDQZQDJFXILKT-QGZVFWFLSA-N
MW487.60 g/mol
LogP2.99
Rot. Bonds7

About N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide

N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 41113907) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID41113907
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC NameN-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C23H25N3O5S2/c1-17(18-12-14-21(15-13-18)32(24,28)29)25(2)23(27)19-8-7-11-22(16-19)33(30,31)26(3)20-9-5-4-6-10-20/h4-17H,1-3H3,(H2,24,28,29)/t17-/m1/s1
InChIKeyYPDQZQDJFXILKT-QGZVFWFLSA-N
XLogP2.99
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51254300
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 41104946
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2407936

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide (CID 41113907) is N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide is C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is YPDQZQDJFXILKT-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-17(18-12-14-21(15-13-18)32(24,28)29)25(2)23(27)19-8-7-11-22(16-19)33(30,31)26(3)20-9-5-4-6-10-20/h4-17H,1-3H3,(H2,24,28,29)/t17-/m1/s1.
What are the key properties of N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 487.60 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 41113907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).