3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide

C25H25N3O5S — CID 30858865

IUPAC3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)c1
InChIInChI=1S/C25H25N3O5S/c1-17(29)20-10-12-23(13-11-20)34(32,33)28-16-18-6-8-21(9-7-18)25(31)27-15-19-4-3-5-22(14-19)24(30)26-2/h3-14,28H,15-16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyNRMVHYSDMHZRTC-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.66
Rot. Bonds9

About 3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide

3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide (PubChem CID 30858865) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide
PubChem CID30858865
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)c1
InChIInChI=1S/C25H25N3O5S/c1-17(29)20-10-12-23(13-11-20)34(32,33)28-16-18-6-8-21(9-7-18)25(31)27-15-19-4-3-5-22(14-19)24(30)26-2/h3-14,28H,15-16H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyNRMVHYSDMHZRTC-UHFFFAOYSA-N
XLogP2.66
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 86951535
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55728144
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide
CID 130431453
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]benzamide
CID 41138201
propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
CID 56543920
3-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]-N-ethylbenzamide
CID 55724845
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55575626
4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
CID 109057844

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide (CID 30858865) is 3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)c1.
What is the InChIKey of 3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide?
The InChIKey is NRMVHYSDMHZRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-17(29)20-10-12-23(13-11-20)34(32,33)28-16-18-6-8-21(9-7-18)25(31)27-15-19-4-3-5-22(14-19)24(30)26-2/h3-14,28H,15-16H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide?
3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide has a molecular weight of 479.56 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 30858865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).