5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide

C21H21N5O5S — CID 118419604

IUPAC5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C21H21N5O5S/c1-3-22-20(28)17-18(24-12-23-17)21(29)26-14-10-8-13(9-11-14)25-19(27)15-6-4-5-7-16(15)32(2,30)31/h4-12H,3H2,1-2H3,(H,22,28)(H,23,24)(H,25,27)(H,26,29)
InChIKeyQUELZRCXZORZAA-UHFFFAOYSA-N
MW455.50 g/mol
LogP2.07
Rot. Bonds7

About 5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide

5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419604) has the molecular formula C21H21N5O5S and a molecular weight of 455.50 g/mol. Its IUPAC name is 5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID118419604
Molecular FormulaC21H21N5O5S
Molecular Weight455.50 g/mol
Exact Mass455.13
IUPAC Name5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C21H21N5O5S/c1-3-22-20(28)17-18(24-12-23-17)21(29)26-14-10-8-13(9-11-14)25-19(27)15-6-4-5-7-16(15)32(2,30)31/h4-12H,3H2,1-2H3,(H,22,28)(H,23,24)(H,25,27)(H,26,29)
InChIKeyQUELZRCXZORZAA-UHFFFAOYSA-N
XLogP2.07
TPSA150.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 144936571
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
5-N-(2,2-dimethylpropyl)-4-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 46264443
5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736415
4-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-1H-imidazole-4,5-dicarboxamide
CID 118419265
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
4-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-imidazole-4,5-dicarboxamide
CID 118419131
ethyl 4-[(2-methylsulfonylbenzoyl)amino]benzoate
CID 7267042
4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123706994
4-N-[4-[(2-chloro-4-methylsulfonylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424136
N-[4-(2-methylpropylcarbamoyl)phenyl]-2-methylsulfonylbenzamide
CID 87026481
2-ethylsulfonyl-N-(4-methylsulfonylphenyl)benzamide
CID 9455909

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide (CID 118419604) is 5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide is CCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of 5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is QUELZRCXZORZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5S/c1-3-22-20(28)17-18(24-12-23-17)21(29)26-14-10-8-13(9-11-14)25-19(27)15-6-4-5-7-16(15)32(2,30)31/h4-12H,3H2,1-2H3,(H,22,28)(H,23,24)(H,25,27)(H,26,29).
What are the key properties of 5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 455.50 g/mol, XLogP of 2.07, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-4-N-[4-[(2-methylsulfonylbenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).