1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide

C23H26N4O4S — CID 53136053

IUPAC1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)cc1
InChIInChI=1S/C23H26N4O4S/c1-17(2)18-3-5-19(6-4-18)25-23(28)22-15-26(16-24-22)20-7-9-21(10-8-20)32(29,30)27-11-13-31-14-12-27/h3-10,15-17H,11-14H2,1-2H3,(H,25,28)
InChIKeyOFLIUUYMNWSDTF-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.27
Rot. Bonds6

About 1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide

1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide (PubChem CID 53136053) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide
PubChem CID53136053
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)cc1
InChIInChI=1S/C23H26N4O4S/c1-17(2)18-3-5-19(6-4-18)25-23(28)22-15-26(16-24-22)20-7-9-21(10-8-20)32(29,30)27-11-13-31-14-12-27/h3-10,15-17H,11-14H2,1-2H3,(H,25,28)
InChIKeyOFLIUUYMNWSDTF-UHFFFAOYSA-N
XLogP3.27
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136046
N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136011
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136016
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136073
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 7759072
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-propan-2-ylbenzamide
CID 17177406
2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid
CID 57373716
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
4-chloro-1-ethyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrazole-5-carboxamide
CID 19477261

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide (CID 53136053) is 1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide is CC(C)c1ccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cn2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide?
The InChIKey is OFLIUUYMNWSDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-17(2)18-3-5-19(6-4-18)25-23(28)22-15-26(16-24-22)20-7-9-21(10-8-20)32(29,30)27-11-13-31-14-12-27/h3-10,15-17H,11-14H2,1-2H3,(H,25,28).
What are the key properties of 1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide?
1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 53136053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).