N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide

C24H26N4O4S — CID 55649936

IUPACN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(NC(=O)NC(C)C)c3)cc2)cc1
InChIInChI=1S/C24H26N4O4S/c1-16(2)25-24(30)27-21-6-4-5-18(15-21)23(29)26-19-9-11-20(12-10-19)28-33(31,32)22-13-7-17(3)8-14-22/h4-16,28H,1-3H3,(H,26,29)(H2,25,27,30)
InChIKeyWWTFFABYLHAEHD-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.58
Rot. Bonds7

About N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55649936) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55649936
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(NC(=O)NC(C)C)c3)cc2)cc1
InChIInChI=1S/C24H26N4O4S/c1-16(2)25-24(30)27-21-6-4-5-18(15-21)23(29)26-19-9-11-20(12-10-19)28-33(31,32)22-13-7-17(3)8-14-22/h4-16,28H,1-3H3,(H,26,29)(H2,25,27,30)
InChIKeyWWTFFABYLHAEHD-UHFFFAOYSA-N
XLogP4.58
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000
3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 2114640
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 92505181
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide (CID 55649936) is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(NC(=O)NC(C)C)c3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is WWTFFABYLHAEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-16(2)25-24(30)27-21-6-4-5-18(15-21)23(29)26-19-9-11-20(12-10-19)28-33(31,32)22-13-7-17(3)8-14-22/h4-16,28H,1-3H3,(H,26,29)(H2,25,27,30).
What are the key properties of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide?
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 466.56 g/mol, XLogP of 4.58, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55649936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).