2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide

C22H21N3O4S — CID 55960852

IUPAC2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-2-30(28,29)25-18-14-12-17(13-15-18)23-22(27)19-10-6-7-11-20(19)24-21(26)16-8-4-3-5-9-16/h3-15,25H,2H2,1H3,(H,23,27)(H,24,26)
InChIKeyASJSWOVRJULTCU-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.95
Rot. Bonds7

About 2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide

2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide (PubChem CID 55960852) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide
PubChem CID55960852
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-2-30(28,29)25-18-14-12-17(13-15-18)23-22(27)19-10-6-7-11-20(19)24-21(26)16-8-4-3-5-9-16/h3-15,25H,2H2,1H3,(H,23,27)(H,24,26)
InChIKeyASJSWOVRJULTCU-UHFFFAOYSA-N
XLogP3.95
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(ethylsulfonylamino)benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 92643139
2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
CID 51179285
2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
N-[4-(ethylsulfonylamino)phenyl]-2-(2-phenylethyl)benzamide
CID 60556640
3-[4-[(2-benzamidobenzoyl)amino]phenyl]propanoic acid
CID 23593002
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 47051930
2-benzamido-N-pyridin-4-ylbenzamide
CID 730926
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059
2-[(3-bromobenzoyl)amino]-N-phenylbenzamide
CID 54790950
4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide?
The IUPAC name of 2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide (CID 55960852) is 2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide.
What is the SMILES notation for 2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide?
The canonical SMILES for 2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1.
What is the InChIKey of 2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide?
The InChIKey is ASJSWOVRJULTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-2-30(28,29)25-18-14-12-17(13-15-18)23-22(27)19-10-6-7-11-20(19)24-21(26)16-8-4-3-5-9-16/h3-15,25H,2H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide?
2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide is sourced from PubChem (CID 55960852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).