N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide

C21H28N2O4S — CID 95084897

IUPACN-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
SMILESCC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)N[C@@H](C)Cc3ccco3)ccc21
InChIInChI=1S/C21H28N2O4S/c1-14(2)20(24)23-13-21(4,5)18-12-17(8-9-19(18)23)28(25,26)22-15(3)11-16-7-6-10-27-16/h6-10,12,14-15,22H,11,13H2,1-5H3/t15-/m0/s1
InChIKeyFGQNIXAYNIJOPO-HNNXBMFYSA-N
MW404.53 g/mol
LogP3.47
Rot. Bonds6

About N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide

N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide (PubChem CID 95084897) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
PubChem CID95084897
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
SMILESCC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)N[C@@H](C)Cc3ccco3)ccc21
InChIInChI=1S/C21H28N2O4S/c1-14(2)20(24)23-13-21(4,5)18-12-17(8-9-19(18)23)28(25,26)22-15(3)11-16-7-6-10-27-16/h6-10,12,14-15,22H,11,13H2,1-5H3/t15-/m0/s1
InChIKeyFGQNIXAYNIJOPO-HNNXBMFYSA-N
XLogP3.47
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105681
N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105705
methyl 4-[[3,3-dimethyl-1-(2-methylpropanoyl)-2H-indol-5-yl]sulfonylamino]benzoate
CID 53105722
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
CID 51078414
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide
CID 61051425
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654
3-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 93056586

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide (CID 95084897) is N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The canonical SMILES for N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide is CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)N[C@@H](C)Cc3ccco3)ccc21.
What is the InChIKey of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
The InChIKey is FGQNIXAYNIJOPO-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-14(2)20(24)23-13-21(4,5)18-12-17(8-9-19(18)23)28(25,26)22-15(3)11-16-7-6-10-27-16/h6-10,12,14-15,22H,11,13H2,1-5H3/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide?
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide has a molecular weight of 404.53 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide is sourced from PubChem (CID 95084897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).