3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide

C12H19F3N4O3S — CID 71685744

IUPAC3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCc1nc(S(=O)(=O)NCCC(=O)N(C)CCC(F)(F)F)cn1C
InChIInChI=1S/C12H19F3N4O3S/c1-9-17-10(8-19(9)3)23(21,22)16-6-4-11(20)18(2)7-5-12(13,14)15/h8,16H,4-7H2,1-3H3
InChIKeyPDAYIHKJQOTGMV-UHFFFAOYSA-N
MW356.37 g/mol
LogP0.81
Rot. Bonds7

About 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 71685744) has the molecular formula C12H19F3N4O3S and a molecular weight of 356.37 g/mol. Its IUPAC name is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID71685744
Molecular FormulaC12H19F3N4O3S
Molecular Weight356.37 g/mol
Exact Mass356.11
IUPAC Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
SMILESCc1nc(S(=O)(=O)NCCC(=O)N(C)CCC(F)(F)F)cn1C
InChIInChI=1S/C12H19F3N4O3S/c1-9-17-10(8-19(9)3)23(21,22)16-6-4-11(20)18(2)7-5-12(13,14)15/h8,16H,4-7H2,1-3H3
InChIKeyPDAYIHKJQOTGMV-UHFFFAOYSA-N
XLogP0.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide (CID 71685744) is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide is Cc1nc(S(=O)(=O)NCCC(=O)N(C)CCC(F)(F)F)cn1C.
What is the InChIKey of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is PDAYIHKJQOTGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O3S/c1-9-17-10(8-19(9)3)23(21,22)16-6-4-11(20)18(2)7-5-12(13,14)15/h8,16H,4-7H2,1-3H3.
What are the key properties of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide?
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 356.37 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 71685744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).