N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide

C20H25N3O4S — CID 55495204

IUPACN-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H25N3O4S/c1-14-8-7-10-16(12-14)20(25)22-15(2)19(24)21-13-17-9-5-6-11-18(17)28(26,27)23(3)4/h5-12,15H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyBMYUUCRNIVPSBV-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.68
Rot. Bonds7

About N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide

N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 55495204) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID55495204
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H25N3O4S/c1-14-8-7-10-16(12-14)20(25)22-15(2)19(24)21-13-17-9-5-6-11-18(17)28(26,27)23(3)4/h5-12,15H,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyBMYUUCRNIVPSBV-UHFFFAOYSA-N
XLogP1.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55941699
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
CID 34429535
N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 9179483
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111900566
N-[(2S)-1-[[(3S)-3-hydroxy-3-phenylpropyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 97007071
(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55940266
N-[1-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 112764524
N-[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771996
3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
CID 46757042
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55941738
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 30918870

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide (CID 55495204) is N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is BMYUUCRNIVPSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14-8-7-10-16(12-14)20(25)22-15(2)19(24)21-13-17-9-5-6-11-18(17)28(26,27)23(3)4/h5-12,15H,13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylsulfamoyl)phenyl]methylamino]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 55495204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).