3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

C20H19N5O4S — CID 6493247

IUPAC3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1
InChIInChI=1S/C20H19N5O4S/c1-2-18(26)23-16-6-3-5-14(13-16)19(27)24-15-7-9-17(10-8-15)30(28,29)25-20-21-11-4-12-22-20/h3-13H,2H2,1H3,(H,23,26)(H,24,27)(H,21,22,25)
InChIKeyBBWDITQLHPOPEJ-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.88
Rot. Bonds7

About 3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 6493247) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is 3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID6493247
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC Name3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1
InChIInChI=1S/C20H19N5O4S/c1-2-18(26)23-16-6-3-5-14(13-16)19(27)24-15-7-9-17(10-8-15)30(28,29)25-20-21-11-4-12-22-20/h3-13H,2H2,1H3,(H,23,26)(H,24,27)(H,21,22,25)
InChIKeyBBWDITQLHPOPEJ-UHFFFAOYSA-N
XLogP2.88
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
1-(3-acetylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
CID 2209520
3,5-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2597997
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
3,4-dimethoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084470
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
CID 17312368
4-(dimethylsulfamoyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 4671821
3-(benzenesulfonamido)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 92677705
N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
CID 17309567
2-methoxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 700857
2,3,4,5,6-pentafluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2169475

Frequently Asked Questions

What is the IUPAC name of 3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 6493247) is 3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is CCC(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1.
What is the InChIKey of 3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is BBWDITQLHPOPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c1-2-18(26)23-16-6-3-5-14(13-16)19(27)24-15-7-9-17(10-8-15)30(28,29)25-20-21-11-4-12-22-20/h3-13H,2H2,1H3,(H,23,26)(H,24,27)(H,21,22,25).
What are the key properties of 3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 425.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propanoylamino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 6493247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).