N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide

C23H21FN2O4S — CID 166201074

IUPACN-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c(C)o1
InChIInChI=1S/C23H21FN2O4S/c1-14-13-21(15(2)30-14)31(28,29)26-22(27)12-11-19-18-5-3-4-6-20(18)25-23(19)16-7-9-17(24)10-8-16/h3-10,13,25H,11-12H2,1-2H3,(H,26,27)
InChIKeyXKWZAVQNUJLVLN-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.62
Rot. Bonds6

About N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide

N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (PubChem CID 166201074) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
PubChem CID166201074
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC NameN-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
SMILESCc1cc(S(=O)(=O)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c(C)o1
InChIInChI=1S/C23H21FN2O4S/c1-14-13-21(15(2)30-14)31(28,29)26-22(27)12-11-19-18-5-3-4-6-20(18)25-23(19)16-7-9-17(24)10-8-16/h3-10,13,25H,11-12H2,1-2H3,(H,26,27)
InChIKeyXKWZAVQNUJLVLN-UHFFFAOYSA-N
XLogP4.62
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide
CID 167784657
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 55412331
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]propanamide
CID 166244623
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyridin-2-ylpropanamide
CID 56809441
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083531
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8869378
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 166229727
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55671297
N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide
CID 55898909
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide
CID 47835724
N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78818180

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The IUPAC name of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (CID 166201074) is N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is Cc1cc(S(=O)(=O)NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c(C)o1.
What is the InChIKey of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The InChIKey is XKWZAVQNUJLVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-14-13-21(15(2)30-14)31(28,29)26-22(27)12-11-19-18-5-3-4-6-20(18)25-23(19)16-7-9-17(24)10-8-16/h3-10,13,25H,11-12H2,1-2H3,(H,26,27).
What are the key properties of N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide has a molecular weight of 440.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylfuran-3-yl)sulfonyl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 166201074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).