3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C20H27F3N4O4S — CID 95067154

IUPAC3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2CCC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C20H27F3N4O4S/c1-3-26(4-2)32(29,30)15-7-8-17-16(12-15)25-19(20(21,22)23)27(17)10-9-18(28)24-13-14-6-5-11-31-14/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,24,28)/t14-/m0/s1
InChIKeyWMHWXAYPKHXLQT-AWEZNQCLSA-N
MW476.52 g/mol
LogP2.77
Rot. Bonds9

About 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 95067154) has the molecular formula C20H27F3N4O4S and a molecular weight of 476.52 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID95067154
Molecular FormulaC20H27F3N4O4S
Molecular Weight476.52 g/mol
Exact Mass476.17
IUPAC Name3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2CCC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C20H27F3N4O4S/c1-3-26(4-2)32(29,30)15-7-8-17-16(12-15)25-19(20(21,22)23)27(17)10-9-18(28)24-13-14-6-5-11-31-14/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,24,28)/t14-/m0/s1
InChIKeyWMHWXAYPKHXLQT-AWEZNQCLSA-N
XLogP2.77
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 46320673
4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97043859
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7263423
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(oxolan-3-ylmethyl)propanamide
CID 55659140
N,N-diethyl-1-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole-5-sulfonamide
CID 92818845
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25418906
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 20859076
N-cyclohexyl-3-[5-pyrrolidin-1-ylsulfonyl-2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 53064104
N,N-diethyl-1-(oxolan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole-5-sulfonamide
CID 46097891
N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 39258133
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71793627
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9003858

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 95067154) is 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(C(F)(F)F)n2CCC(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is WMHWXAYPKHXLQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27F3N4O4S/c1-3-26(4-2)32(29,30)15-7-8-17-16(12-15)25-19(20(21,22)23)27(17)10-9-18(28)24-13-14-6-5-11-31-14/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,24,28)/t14-/m0/s1.
What are the key properties of 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 476.52 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-2-(trifluoromethyl)benzimidazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 95067154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).