N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide

C22H24N4O6S — CID 53136046

IUPACN-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)c(OC)c1
InChIInChI=1S/C22H24N4O6S/c1-30-17-5-8-19(21(13-17)31-2)24-22(27)20-14-25(15-23-20)16-3-6-18(7-4-16)33(28,29)26-9-11-32-12-10-26/h3-8,13-15H,9-12H2,1-2H3,(H,24,27)
InChIKeyOTDMFOISMGYNDQ-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.16
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide

N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide (PubChem CID 53136046) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
PubChem CID53136046
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)c(OC)c1
InChIInChI=1S/C22H24N4O6S/c1-30-17-5-8-19(21(13-17)31-2)24-22(27)20-14-25(15-23-20)16-3-6-18(7-4-16)33(28,29)26-9-11-32-12-10-26/h3-8,13-15H,9-12H2,1-2H3,(H,24,27)
InChIKeyOTDMFOISMGYNDQ-UHFFFAOYSA-N
XLogP2.16
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide
CID 53136053
N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136073
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 71904717
N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136011
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275
1-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-3-(4-methoxyphenyl)thiourea
CID 2488318
N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101455
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136016
1-(4-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 26470174
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide (CID 53136046) is N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide?
The InChIKey is OTDMFOISMGYNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-30-17-5-8-19(21(13-17)31-2)24-22(27)20-14-25(15-23-20)16-3-6-18(7-4-16)33(28,29)26-9-11-32-12-10-26/h3-8,13-15H,9-12H2,1-2H3,(H,24,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 53136046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).