N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide

C18H16F2N2O4S — CID 20938219

IUPACN-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C18H16F2N2O4S/c1-22-16-5-3-13(8-11(16)9-18(22)24)27(25,26)7-6-17(23)21-12-2-4-14(19)15(20)10-12/h2-5,8,10H,6-7,9H2,1H3,(H,21,23)
InChIKeyMOFFBHHMXHDLEF-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.29
Rot. Bonds5

About N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide

N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide (PubChem CID 20938219) has the molecular formula C18H16F2N2O4S and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
PubChem CID20938219
Molecular FormulaC18H16F2N2O4S
Molecular Weight394.40 g/mol
Exact Mass394.08
IUPAC NameN-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C18H16F2N2O4S/c1-22-16-5-3-13(8-11(16)9-18(22)24)27(25,26)7-6-17(23)21-12-2-4-14(19)15(20)10-12/h2-5,8,10H,6-7,9H2,1H3,(H,21,23)
InChIKeyMOFFBHHMXHDLEF-UHFFFAOYSA-N
XLogP2.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 20938090
3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 20938140
N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 20938087
N-(2,4-difluorophenyl)-3-[(1-ethyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 46336037
3-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)propanamide
CID 110777137
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
CID 110777123
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
CID 55891636
3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanenitrile
CID 116855309
N-(4-ethylphenyl)-2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]acetamide
CID 112996855
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 7544230
2-(2-fluorophenoxy)-N-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 18570797
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide (CID 20938219) is N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide is CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)ccc21.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
The InChIKey is MOFFBHHMXHDLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4S/c1-22-16-5-3-13(8-11(16)9-18(22)24)27(25,26)7-6-17(23)21-12-2-4-14(19)15(20)10-12/h2-5,8,10H,6-7,9H2,1H3,(H,21,23).
What are the key properties of N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide has a molecular weight of 394.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 20938219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).