N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide

C20H25N3O4S — CID 46585360

IUPACN-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)CCNC(=O)c2ccccc2)c1
InChIInChI=1S/C20H25N3O4S/c1-15(2)23-28(26,27)18-10-6-7-16(13-18)14-22-19(24)11-12-21-20(25)17-8-4-3-5-9-17/h3-10,13,15,23H,11-12,14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyYTRRTWZQIJARMJ-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.81
Rot. Bonds9

About N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide

N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide (PubChem CID 46585360) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
PubChem CID46585360
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(CNC(=O)CCNC(=O)c2ccccc2)c1
InChIInChI=1S/C20H25N3O4S/c1-15(2)23-28(26,27)18-10-6-7-16(13-18)14-22-19(24)11-12-21-20(25)17-8-4-3-5-9-17/h3-10,13,15,23H,11-12,14H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyYTRRTWZQIJARMJ-UHFFFAOYSA-N
XLogP1.81
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46461593
N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 43059176
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 46469241
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 46582053
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide
CID 46465050
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide
CID 30839191
N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
3-(2-phenylethyl)-N-propan-2-ylbenzenesulfonamide
CID 91202186
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide?
The IUPAC name of N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide (CID 46585360) is N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide is CC(C)NS(=O)(=O)c1cccc(CNC(=O)CCNC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide?
The InChIKey is YTRRTWZQIJARMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15(2)23-28(26,27)18-10-6-7-16(13-18)14-22-19(24)11-12-21-20(25)17-8-4-3-5-9-17/h3-10,13,15,23H,11-12,14H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide?
N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide has a molecular weight of 403.50 g/mol, XLogP of 1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide is sourced from PubChem (CID 46585360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).