N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide

C23H29N3O3S — CID 70844247

IUPACN-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(N)c3cc(OCC)ccc3n2C2CCC2)cc1
InChIInChI=1S/C23H29N3O3S/c1-3-14-30(27,28)25-17-10-8-16(9-11-17)23-22(24)20-15-19(29-4-2)12-13-21(20)26(23)18-6-5-7-18/h8-13,15,18,25H,3-7,14,24H2,1-2H3
InChIKeyIYQOFXVFUMIKOV-UHFFFAOYSA-N
MW427.57 g/mol
LogP5.17
Rot. Bonds8

About N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide

N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide (PubChem CID 70844247) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide
PubChem CID70844247
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(N)c3cc(OCC)ccc3n2C2CCC2)cc1
InChIInChI=1S/C23H29N3O3S/c1-3-14-30(27,28)25-17-10-8-16(9-11-17)23-22(24)20-15-19(29-4-2)12-13-21(20)26(23)18-6-5-7-18/h8-13,15,18,25H,3-7,14,24H2,1-2H3
InChIKeyIYQOFXVFUMIKOV-UHFFFAOYSA-N
XLogP5.17
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide
CID 89344177
2-(4-aminophenyl)-1-cyclobutyl-5-ethoxyindol-3-amine
CID 89344162
cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
CID 70805302
N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide
CID 71177346
N-[4-[3-amino-6-[(2-chloro-3-pyridinyl)oxy]-1-cyclobutylindol-2-yl]phenyl]propane-1-sulfonamide
CID 89004946
N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]-2,2-dimethylpropane-1-sulfonamide
CID 88923726
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
CID 58694386
N-[4-[3-amino-1-cyclobutyl-5-(1,3-dioxan-5-yloxy)indol-2-yl]phenyl]cyclopropanesulfonamide
CID 70825953
N-[4-(3-amino-1-cyclobutyl-6-piperidin-1-ylindol-2-yl)phenyl]ethanesulfonamide
CID 70859443
N-[4-[3-cyano-1-cyclobutyl-6-[(2S)-2,3-dihydroxypropoxy]indol-2-yl]phenyl]propane-1-sulfonamide
CID 59426319
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
CID 25051841

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide (CID 70844247) is N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2c(N)c3cc(OCC)ccc3n2C2CCC2)cc1.
What is the InChIKey of N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide?
The InChIKey is IYQOFXVFUMIKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-3-14-30(27,28)25-17-10-8-16(9-11-17)23-22(24)20-15-19(29-4-2)12-13-21(20)26(23)18-6-5-7-18/h8-13,15,18,25H,3-7,14,24H2,1-2H3.
What are the key properties of N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide?
N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide has a molecular weight of 427.57 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 70844247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).