N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide

C25H33N3O3S — CID 71176654

IUPACN-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide
SMILESCCCC(CC)n1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(N)c2ccc(OCC)cc21
InChIInChI=1S/C25H33N3O3S/c1-4-7-19(5-2)28-23-16-20(31-6-3)12-15-22(23)24(26)25(28)17-8-10-18(11-9-17)27-32(29,30)21-13-14-21/h8-12,15-16,19,21,27H,4-7,13-14,26H2,1-3H3
InChIKeyGXVVHHXRCVNGHY-UHFFFAOYSA-N
MW455.62 g/mol
LogP5.94
Rot. Bonds10

About N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide

N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide (PubChem CID 71176654) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide
PubChem CID71176654
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC NameN-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide
SMILESCCCC(CC)n1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(N)c2ccc(OCC)cc21
InChIInChI=1S/C25H33N3O3S/c1-4-7-19(5-2)28-23-16-20(31-6-3)12-15-22(23)24(26)25(28)17-8-10-18(11-9-17)27-32(29,30)21-13-14-21/h8-12,15-16,19,21,27H,4-7,13-14,26H2,1-3H3
InChIKeyGXVVHHXRCVNGHY-UHFFFAOYSA-N
XLogP5.94
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.62
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]cyclopropanesulfonamide
CID 25051841
1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea
CID 70844333
N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844247
N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide
CID 89344177
N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide
CID 70844134
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate
CID 70858988
N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844494
N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844699
N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]-2,2-dimethylpropane-1-sulfonamide
CID 88923726
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70844556
N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]methanesulfonamide
CID 58694386

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide (CID 71176654) is N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide is CCCC(CC)n1c(-c2ccc(NS(=O)(=O)C3CC3)cc2)c(N)c2ccc(OCC)cc21.
What is the InChIKey of N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide?
The InChIKey is GXVVHHXRCVNGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-4-7-19(5-2)28-23-16-20(31-6-3)12-15-22(23)24(26)25(28)17-8-10-18(11-9-17)27-32(29,30)21-13-14-21/h8-12,15-16,19,21,27H,4-7,13-14,26H2,1-3H3.
What are the key properties of N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide?
N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide has a molecular weight of 455.62 g/mol, XLogP of 5.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 71176654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).