N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

C19H18F2N2O4S — CID 46524136

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H18F2N2O4S/c1-12(18-10-13-4-2-3-5-17(13)27-18)23-19(24)8-9-22-28(25,26)14-6-7-15(20)16(21)11-14/h2-7,10-12,22H,8-9H2,1H3,(H,23,24)
InChIKeyNKBULMOGCFVNFT-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.26
Rot. Bonds7

About N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (PubChem CID 46524136) has the molecular formula C19H18F2N2O4S and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
PubChem CID46524136
Molecular FormulaC19H18F2N2O4S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H18F2N2O4S/c1-12(18-10-13-4-2-3-5-17(13)27-18)23-19(24)8-9-22-28(25,26)14-6-7-15(20)16(21)11-14/h2-7,10-12,22H,8-9H2,1H3,(H,23,24)
InChIKeyNKBULMOGCFVNFT-UHFFFAOYSA-N
XLogP3.26
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9367334
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 9366357
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
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
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9367877
2-[3-[(3,4-difluorophenyl)sulfonylamino]propanoylamino]-N-propylpropanamide
CID 46655347
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (CID 46524136) is N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is CC(NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The InChIKey is NKBULMOGCFVNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4S/c1-12(18-10-13-4-2-3-5-17(13)27-18)23-19(24)8-9-22-28(25,26)14-6-7-15(20)16(21)11-14/h2-7,10-12,22H,8-9H2,1H3,(H,23,24).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide has a molecular weight of 408.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 46524136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).