N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

C25H31N5O3S — CID 58499546

IUPACN-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCn1c(Oc2ccc3cc[nH]c3c2)nnc1[C@@H](C)NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C25H31N5O3S/c1-8-30-24(27-28-25(30)33-21-10-9-20-11-12-26-22(20)13-21)19(7)29-34(31,32)23-17(5)15(3)14(2)16(4)18(23)6/h9-13,19,26,29H,8H2,1-7H3/t19-/m1/s1
InChIKeyCAYBCHNZRHCIDU-LJQANCHMSA-N
MW481.62 g/mol
LogP5.15
Rot. Bonds7

About N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 58499546) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID58499546
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC NameN-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCn1c(Oc2ccc3cc[nH]c3c2)nnc1[C@@H](C)NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C25H31N5O3S/c1-8-30-24(27-28-25(30)33-21-10-9-20-11-12-26-22(20)13-21)19(7)29-34(31,32)23-17(5)15(3)14(2)16(4)18(23)6/h9-13,19,26,29H,8H2,1-7H3/t19-/m1/s1
InChIKeyCAYBCHNZRHCIDU-LJQANCHMSA-N
XLogP5.15
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,6-trichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499688
N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide
CID 58499313
N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]ethanesulfonamide
CID 58499955
N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3-methylbenzenesulfonamide
CID 58499511
3,5-dichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499721
3-chloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2-methylbenzenesulfonamide
CID 58499594
4-bromo-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2-methylbenzenesulfonamide
CID 58499698
N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-4-pyridin-4-yloxybenzenesulfonamide
CID 58499659
N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]naphthalene-1-sulfonamide
CID 58499505
5-chloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,4-difluorobenzenesulfonamide
CID 58500117
4-chloro-1-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzene-1,3-disulfonamide
CID 58499853
N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 58500042

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 58499546) is N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is CCn1c(Oc2ccc3cc[nH]c3c2)nnc1[C@@H](C)NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is CAYBCHNZRHCIDU-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-8-30-24(27-28-25(30)33-21-10-9-20-11-12-26-22(20)13-21)19(7)29-34(31,32)23-17(5)15(3)14(2)16(4)18(23)6/h9-13,19,26,29H,8H2,1-7H3/t19-/m1/s1.
What are the key properties of N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 481.62 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 58499546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).