3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide

C19H20F2N2O4S — CID 30942172

IUPAC3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H20F2N2O4S/c1-12(14-6-7-17(20)18(21)11-14)23-19(25)8-9-22-28(26,27)16-5-3-4-15(10-16)13(2)24/h3-7,10-12,22H,8-9H2,1-2H3,(H,23,25)/t12-/m0/s1
InChIKeyKADKFSYOUOWJQP-LBPRGKRZSA-N
MW410.44 g/mol
LogP2.71
Rot. Bonds8

About 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide

3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide (PubChem CID 30942172) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
PubChem CID30942172
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC Name3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H20F2N2O4S/c1-12(14-6-7-17(20)18(21)11-14)23-19(25)8-9-22-28(26,27)16-5-3-4-15(10-16)13(2)24/h3-7,10-12,22H,8-9H2,1-2H3,(H,23,25)/t12-/m0/s1
InChIKeyKADKFSYOUOWJQP-LBPRGKRZSA-N
XLogP2.71
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 52990856
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34762575
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
3-[(3-acetylphenyl)sulfonylamino]-N-[(4-chlorophenyl)-phenylmethyl]propanamide
CID 60522060
N-[1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 134045494
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(3-acetylphenyl)sulfonylamino]-N-(1,2-diphenylethyl)propanamide
CID 134014613
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide?
The IUPAC name of 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide (CID 30942172) is 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide is CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide?
The InChIKey is KADKFSYOUOWJQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c1-12(14-6-7-17(20)18(21)11-14)23-19(25)8-9-22-28(26,27)16-5-3-4-15(10-16)13(2)24/h3-7,10-12,22H,8-9H2,1-2H3,(H,23,25)/t12-/m0/s1.
What are the key properties of 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide?
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide has a molecular weight of 410.44 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide is sourced from PubChem (CID 30942172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).