3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide

C20H19N5O6S — CID 162521060

IUPAC3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C20H19N5O6S/c1-11-2-3-12(19(28)22-13-4-6-15(7-5-13)32(21,30)31)8-16(11)24-17(26)9-14-10-18(27)25-20(29)23-14/h2-8,10H,9H2,1H3,(H,22,28)(H,24,26)(H2,21,30,31)(H2,23,25,27,29)
InChIKeyQDEGFULRFIDESC-UHFFFAOYSA-N
MW457.47 g/mol
LogP0.45
Rot. Bonds6

About 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide

3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide (PubChem CID 162521060) has the molecular formula C20H19N5O6S and a molecular weight of 457.47 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide
PubChem CID162521060
Molecular FormulaC20H19N5O6S
Molecular Weight457.47 g/mol
Exact Mass457.11
IUPAC Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C20H19N5O6S/c1-11-2-3-12(19(28)22-13-4-6-15(7-5-13)32(21,30)31)8-16(11)24-17(26)9-14-10-18(27)25-20(29)23-14/h2-8,10H,9H2,1H3,(H,22,28)(H,24,26)(H2,21,30,31)(H2,23,25,27,29)
InChIKeyQDEGFULRFIDESC-UHFFFAOYSA-N
XLogP0.45
TPSA184.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 50.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 18161684
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
methyl 6-[(4-sulfamoylphenyl)carbamoyl]naphthalene-2-carboxylate
CID 59762981
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid
CID 43353075
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide
CID 56510951
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 166350115
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide (CID 162521060) is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is QDEGFULRFIDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O6S/c1-11-2-3-12(19(28)22-13-4-6-15(7-5-13)32(21,30)31)8-16(11)24-17(26)9-14-10-18(27)25-20(29)23-14/h2-8,10H,9H2,1H3,(H,22,28)(H,24,26)(H2,21,30,31)(H2,23,25,27,29).
What are the key properties of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide?
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 457.47 g/mol, XLogP of 0.45, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methyl-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 162521060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).