2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide

C22H21N3O4S — CID 39976343

IUPAC2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(NS(N)(=O)=O)c2)cc1
InChIInChI=1S/C22H21N3O4S/c1-15-9-11-17(12-10-15)21(26)19-7-2-3-8-20(19)22(27)24-14-16-5-4-6-18(13-16)25-30(23,28)29/h2-13,25H,14H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyVUXXWIGVKIWBRC-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.77
Rot. Bonds7

About 2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide

2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide (PubChem CID 39976343) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide
PubChem CID39976343
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(NS(N)(=O)=O)c2)cc1
InChIInChI=1S/C22H21N3O4S/c1-15-9-11-17(12-10-15)21(26)19-7-2-3-8-20(19)22(27)24-14-16-5-4-6-18(13-16)25-30(23,28)29/h2-13,25H,14H2,1H3,(H,24,27)(H2,23,28,29)
InChIKeyVUXXWIGVKIWBRC-UHFFFAOYSA-N
XLogP2.77
TPSA118.36 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 ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromobenzoyl)-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535159
2-(4-fluorobenzoyl)-N-[(3-sulfamoylphenyl)methyl]benzamide
CID 32566324
2-benzoyl-N-[[3-(butanoylamino)phenyl]methyl]benzamide
CID 60515223
N-(2-amino-2-methylpropyl)-2-(4-methylbenzoyl)benzamide
CID 119627671
2-benzoyl-N-[(3-ethoxyphenyl)methyl]benzamide
CID 55843893
2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263270
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-(4-methylbenzoyl)benzamide
CID 60571715
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
2-chloro-N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772238
2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide?
The IUPAC name of 2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide (CID 39976343) is 2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(NS(N)(=O)=O)c2)cc1.
What is the InChIKey of 2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide?
The InChIKey is VUXXWIGVKIWBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-15-9-11-17(12-10-15)21(26)19-7-2-3-8-20(19)22(27)24-14-16-5-4-6-18(13-16)25-30(23,28)29/h2-13,25H,14H2,1H3,(H,24,27)(H2,23,28,29).
What are the key properties of 2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide?
2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 39976343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).