3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide

C19H29F2N3O3S — CID 60574443

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide
SMILESCC1CC(C)CN(CC(C)NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H29F2N3O3S/c1-13-8-14(2)11-24(10-13)12-15(3)23-19(25)6-7-22-28(26,27)16-4-5-17(20)18(21)9-16/h4-5,9,13-15,22H,6-8,10-12H2,1-3H3,(H,23,25)
InChIKeyMLEBSLOCLHRYNG-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.12
Rot. Bonds8

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide (PubChem CID 60574443) has the molecular formula C19H29F2N3O3S and a molecular weight of 417.52 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide
PubChem CID60574443
Molecular FormulaC19H29F2N3O3S
Molecular Weight417.52 g/mol
Exact Mass417.19
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide
SMILESCC1CC(C)CN(CC(C)NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H29F2N3O3S/c1-13-8-14(2)11-24(10-13)12-15(3)23-19(25)6-7-22-28(26,27)16-4-5-17(20)18(21)9-16/h4-5,9,13-15,22H,6-8,10-12H2,1-3H3,(H,23,25)
InChIKeyMLEBSLOCLHRYNG-UHFFFAOYSA-N
XLogP2.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 60573605
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
CID 46655347
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(2-methylanilino)propanamide
CID 52908771
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60573549
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
N-[1-(4-bromophenyl)propyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 43011602

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide (CID 60574443) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide is CC1CC(C)CN(CC(C)NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide?
The InChIKey is MLEBSLOCLHRYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F2N3O3S/c1-13-8-14(2)11-24(10-13)12-15(3)23-19(25)6-7-22-28(26,27)16-4-5-17(20)18(21)9-16/h4-5,9,13-15,22H,6-8,10-12H2,1-3H3,(H,23,25).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide has a molecular weight of 417.52 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 60574443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).