N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide

C21H24F2N4O3S — CID 17481526

IUPACN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCC(CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C21H24F2N4O3S/c1-14(19-26-17-5-3-4-6-18(17)27(19)21(22)23)13-24-20(28)16-9-7-15(8-10-16)11-12-25-31(2,29)30/h3-10,14,21,25H,11-13H2,1-2H3,(H,24,28)
InChIKeyWCWCEQCPULKDBR-UHFFFAOYSA-N
MW450.51 g/mol
LogP3.06
Rot. Bonds9

About N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide

N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 17481526) has the molecular formula C21H24F2N4O3S and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID17481526
Molecular FormulaC21H24F2N4O3S
Molecular Weight450.51 g/mol
Exact Mass450.15
IUPAC NameN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCC(CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C21H24F2N4O3S/c1-14(19-26-17-5-3-4-6-18(17)27(19)21(22)23)13-24-20(28)16-9-7-15(8-10-16)11-12-25-31(2,29)30/h3-10,14,21,25H,11-13H2,1-2H3,(H,24,28)
InChIKeyWCWCEQCPULKDBR-UHFFFAOYSA-N
XLogP3.06
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 42928507
4-[2-(methanesulfonamido)ethyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 27017885
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42928503
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide
CID 42928501
N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide
CID 51931515
5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 42928516
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
CID 18129742
N-[3-[[(2S)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 25388372
N-[2-(4-benzoylphenyl)ethyl]methanesulfonamide
CID 110667350
(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propan-1-amine
CID 41088280
4-(benzotriazol-1-ylmethyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907384
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-(2-phenylethynyl)benzamide
CID 24597937

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide (CID 17481526) is N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide is CC(CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is WCWCEQCPULKDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O3S/c1-14(19-26-17-5-3-4-6-18(17)27(19)21(22)23)13-24-20(28)16-9-7-15(8-10-16)11-12-25-31(2,29)30/h3-10,14,21,25H,11-13H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide?
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 450.51 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 17481526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).