N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C20H21F3N4O4S — CID 55408997

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCCn1c(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc2ccccc21
InChIInChI=1S/C20H21F3N4O4S/c1-2-27-17-6-4-3-5-16(17)26-18(27)13-24-19(28)11-12-25-32(29,30)15-9-7-14(8-10-15)31-20(21,22)23/h3-10,25H,2,11-13H2,1H3,(H,24,28)
InChIKeyXDUDMNAAIOAOIK-UHFFFAOYSA-N
MW470.47 g/mol
LogP2.94
Rot. Bonds9

About N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 55408997) has the molecular formula C20H21F3N4O4S and a molecular weight of 470.47 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID55408997
Molecular FormulaC20H21F3N4O4S
Molecular Weight470.47 g/mol
Exact Mass470.12
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESCCn1c(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc2ccccc21
InChIInChI=1S/C20H21F3N4O4S/c1-2-27-17-6-4-3-5-16(17)26-18(27)13-24-19(28)11-12-25-32(29,30)15-9-7-14(8-10-15)31-20(21,22)23/h3-10,25H,2,11-13H2,1H3,(H,24,28)
InChIKeyXDUDMNAAIOAOIK-UHFFFAOYSA-N
XLogP2.94
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
N-[(2-chlorophenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26692097
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118761675
N-[[4-(ethoxymethyl)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 30874185
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577873
N-propan-2-yl-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 27648395
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 39969798
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18098065
N-[3-[(1-ethylbenzimidazol-2-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18116720
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55376416
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 55408997) is N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is CCn1c(CNC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is XDUDMNAAIOAOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4S/c1-2-27-17-6-4-3-5-16(17)26-18(27)13-24-19(28)11-12-25-32(29,30)15-9-7-14(8-10-15)31-20(21,22)23/h3-10,25H,2,11-13H2,1H3,(H,24,28).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 470.47 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 55408997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).