N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide

C20H22N2O7S2 — CID 22333244

IUPACN-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide
SMILESCCS(=O)(=O)N(C(=O)c1ccco1)c1ccc2c(c1)c(C(C)=O)c(C)n2S(=O)(=O)CC
InChIInChI=1S/C20H22N2O7S2/c1-5-30(25,26)21-13(3)19(14(4)23)16-12-15(9-10-17(16)21)22(31(27,28)6-2)20(24)18-8-7-11-29-18/h7-12H,5-6H2,1-4H3
InChIKeyXONBWKLCBMONID-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.94
Rot. Bonds7

About N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide

N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide (PubChem CID 22333244) has the molecular formula C20H22N2O7S2 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide
PubChem CID22333244
Molecular FormulaC20H22N2O7S2
Molecular Weight466.54 g/mol
Exact Mass466.09
IUPAC NameN-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide
SMILESCCS(=O)(=O)N(C(=O)c1ccco1)c1ccc2c(c1)c(C(C)=O)c(C)n2S(=O)(=O)CC
InChIInChI=1S/C20H22N2O7S2/c1-5-30(25,26)21-13(3)19(14(4)23)16-12-15(9-10-17(16)21)22(31(27,28)6-2)20(24)18-8-7-11-29-18/h7-12H,5-6H2,1-4H3
InChIKeyXONBWKLCBMONID-UHFFFAOYSA-N
XLogP2.94
TPSA123.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylfuran-2-carboxamide
CID 19210446
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(4-methoxyphenyl)furan-2-carboxamide
CID 18560636
N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 39237533
N-(2-aminoethyl)-N-ethylfuran-2-carboxamide
CID 28707635
N-(4-methylphenyl)sulfonyl-N-phenylfuran-2-carboxamide
CID 19210436
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
propyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 91700657
N-butyl-N-decylfuran-2-carboxamide
CID 91700689
N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide
CID 175567055

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide (CID 22333244) is N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide is CCS(=O)(=O)N(C(=O)c1ccco1)c1ccc2c(c1)c(C(C)=O)c(C)n2S(=O)(=O)CC.
What is the InChIKey of N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide?
The InChIKey is XONBWKLCBMONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7S2/c1-5-30(25,26)21-13(3)19(14(4)23)16-12-15(9-10-17(16)21)22(31(27,28)6-2)20(24)18-8-7-11-29-18/h7-12H,5-6H2,1-4H3.
What are the key properties of N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide?
N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-1-ethylsulfonyl-2-methylindol-5-yl)-N-ethylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 22333244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).