N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide

C21H20F2N4O4S — CID 53136073

IUPACN-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1cn(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1
InChIInChI=1S/C21H20F2N4O4S/c22-16-9-15(10-17(23)11-16)12-24-21(28)20-13-26(14-25-20)18-1-3-19(4-2-18)32(29,30)27-5-7-31-8-6-27/h1-4,9-11,13-14H,5-8,12H2,(H,24,28)
InChIKeyQTQQQIUMFFQJHJ-UHFFFAOYSA-N
MW462.48 g/mol
LogP2.10
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide

N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide (PubChem CID 53136073) has the molecular formula C21H20F2N4O4S and a molecular weight of 462.48 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
PubChem CID53136073
Molecular FormulaC21H20F2N4O4S
Molecular Weight462.48 g/mol
Exact Mass462.12
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1cn(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1
InChIInChI=1S/C21H20F2N4O4S/c22-16-9-15(10-17(23)11-16)12-24-21(28)20-13-26(14-25-20)18-1-3-19(4-2-18)32(29,30)27-5-7-31-8-6-27/h1-4,9-11,13-14H,5-8,12H2,(H,24,28)
InChIKeyQTQQQIUMFFQJHJ-UHFFFAOYSA-N
XLogP2.10
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136025
1-(4-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 55635456
1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide
CID 53136053
N-(2,4-dimethoxyphenyl)-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136046
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 30382359
2-fluoro-5-morpholin-4-ylsulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732332
1-(4-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 24548447
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119690150

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide (CID 53136073) is N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide is O=C(NCc1cc(F)cc(F)c1)c1cn(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide?
The InChIKey is QTQQQIUMFFQJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O4S/c22-16-9-15(10-17(23)11-16)12-24-21(28)20-13-26(14-25-20)18-1-3-19(4-2-18)32(29,30)27-5-7-31-8-6-27/h1-4,9-11,13-14H,5-8,12H2,(H,24,28).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide?
N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-(4-morpholin-4-ylsulfonylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 53136073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).