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

C17H16F2N2O4S — CID 34830305

IUPACN-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H16F2N2O4S/c1-11(22)12-3-2-4-13(9-12)21-17(23)7-8-20-26(24,25)14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8H2,1H3,(H,21,23)
InChIKeyQTYPPAOCSXRVBY-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.47
Rot. Bonds7

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

N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (PubChem CID 34830305) has the molecular formula C17H16F2N2O4S and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
PubChem CID34830305
Molecular FormulaC17H16F2N2O4S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC NameN-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H16F2N2O4S/c1-11(22)12-3-2-4-13(9-12)21-17(23)7-8-20-26(24,25)14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8H2,1H3,(H,21,23)
InChIKeyQTYPPAOCSXRVBY-UHFFFAOYSA-N
XLogP2.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86979332
3-[(3-acetylphenyl)sulfonylamino]-N-(3-ethynylphenyl)propanamide
CID 36673402
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 30942172
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3-acetylphenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 112790595
3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 9412446
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (CID 34830305) is N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The InChIKey is QTYPPAOCSXRVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4S/c1-11(22)12-3-2-4-13(9-12)21-17(23)7-8-20-26(24,25)14-5-6-15(18)16(19)10-14/h2-6,9-10,20H,7-8H2,1H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide has a molecular weight of 382.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 34830305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).