3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide

C27H23N5O6S — CID 141457537

IUPAC3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(-n3ccccc3=O)cc2)cc1
InChIInChI=1S/C27H23N5O6S/c1-39(37,38)31-20-10-5-17(6-11-20)27(36)30-23-16-19(25(28)34)9-14-22(23)29-26(35)18-7-12-21(13-8-18)32-15-3-2-4-24(32)33/h2-16,31H,1H3,(H2,28,34)(H,29,35)(H,30,36)
InChIKeyRBWLLWKNOBSVAP-UHFFFAOYSA-N
MW545.58 g/mol
LogP2.81
Rot. Bonds8

About 3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide

3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide (PubChem CID 141457537) has the molecular formula C27H23N5O6S and a molecular weight of 545.58 g/mol. Its IUPAC name is 3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
PubChem CID141457537
Molecular FormulaC27H23N5O6S
Molecular Weight545.58 g/mol
Exact Mass545.14
IUPAC Name3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(-n3ccccc3=O)cc2)cc1
InChIInChI=1S/C27H23N5O6S/c1-39(37,38)31-20-10-5-17(6-11-20)27(36)30-23-16-19(25(28)34)9-14-22(23)29-26(35)18-7-12-21(13-8-18)32-15-3-2-4-24(32)33/h2-16,31H,1H3,(H2,28,34)(H,29,35)(H,30,36)
InChIKeyRBWLLWKNOBSVAP-UHFFFAOYSA-N
XLogP2.81
TPSA169.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.58
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzene-1,2-dicarboxamide
CID 174815497
molecular hydrogen;4-(2-oxo-1-pyridinyl)benzamide
CID 143214195
N-[2-[(4-acetamido-3-chlorobenzoyl)amino]-4-carbamoylphenyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 135392018
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872
cyclopentane;3,4-dimethylbenzamide;4-(2-oxo-1-pyridinyl)benzamide
CID 142943441
4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide
CID 164612899
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoic acid
CID 108766490
4-(methanesulfonamido)-N-(2-propan-2-ylphenyl)benzamide
CID 51179900
N-(4-iodophenyl)-4-(methanesulfonamido)benzamide
CID 1289280
3-chloro-4-(2-oxo-1-pyridinyl)benzamide
CID 67481316
methyl 3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 108767152

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The IUPAC name of 3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide (CID 141457537) is 3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide.
What is the SMILES notation for 3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The canonical SMILES for 3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(-n3ccccc3=O)cc2)cc1.
What is the InChIKey of 3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
The InChIKey is RBWLLWKNOBSVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O6S/c1-39(37,38)31-20-10-5-17(6-11-20)27(36)30-23-16-19(25(28)34)9-14-22(23)29-26(35)18-7-12-21(13-8-18)32-15-3-2-4-24(32)33/h2-16,31H,1H3,(H2,28,34)(H,29,35)(H,30,36).
What are the key properties of 3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide?
3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide has a molecular weight of 545.58 g/mol, XLogP of 2.81, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methanesulfonamido)benzoyl]amino]-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]benzamide is sourced from PubChem (CID 141457537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).