3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide

C17H27F2N3O3S — CID 55376345

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
SMILESCC(C)N(CCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C17H27F2N3O3S/c1-12(2)22(13(3)4)10-9-20-17(23)7-8-21-26(24,25)14-5-6-15(18)16(19)11-14/h5-6,11-13,21H,7-10H2,1-4H3,(H,20,23)
InChIKeyRJGHTYNDHRDOFQ-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.87
Rot. Bonds10

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide (PubChem CID 55376345) has the molecular formula C17H27F2N3O3S and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
PubChem CID55376345
Molecular FormulaC17H27F2N3O3S
Molecular Weight391.48 g/mol
Exact Mass391.17
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
SMILESCC(C)N(CCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(C)C
InChIInChI=1S/C17H27F2N3O3S/c1-12(2)22(13(3)4)10-9-20-17(23)7-8-21-26(24,25)14-5-6-15(18)16(19)11-14/h5-6,11-13,21H,7-10H2,1-4H3,(H,20,23)
InChIKeyRJGHTYNDHRDOFQ-UHFFFAOYSA-N
XLogP1.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
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-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408072
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470
N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46433666
3,4-difluoro-N-[3-oxo-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]benzenesulfonamide
CID 24539260
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide (CID 55376345) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide is CC(C)N(CCNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(C)C.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide?
The InChIKey is RJGHTYNDHRDOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N3O3S/c1-12(2)22(13(3)4)10-9-20-17(23)7-8-21-26(24,25)14-5-6-15(18)16(19)11-14/h5-6,11-13,21H,7-10H2,1-4H3,(H,20,23).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide has a molecular weight of 391.48 g/mol, XLogP of 1.87, 10 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-[2-[di(propan-2-yl)amino]ethyl]propanamide is sourced from PubChem (CID 55376345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).