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

C22H25N5O3S — CID 58499313

IUPACN-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide
SMILESCCn1c(Oc2ccc3cc[nH]c3c2)nnc1[C@@H](C)NS(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H25N5O3S/c1-5-27-21(16(4)26-31(28,29)19-11-14(2)10-15(3)12-19)24-25-22(27)30-18-7-6-17-8-9-23-20(17)13-18/h6-13,16,23,26H,5H2,1-4H3/t16-/m1/s1
InChIKeyMDBOHTYBSFZJDX-MRXNPFEDSA-N
MW439.54 g/mol
LogP4.23
Rot. Bonds7

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

N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide (PubChem CID 58499313) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide
PubChem CID58499313
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide
SMILESCCn1c(Oc2ccc3cc[nH]c3c2)nnc1[C@@H](C)NS(=O)(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H25N5O3S/c1-5-27-21(16(4)26-31(28,29)19-11-14(2)10-15(3)12-19)24-25-22(27)30-18-7-6-17-8-9-23-20(17)13-18/h6-13,16,23,26H,5H2,1-4H3/t16-/m1/s1
InChIKeyMDBOHTYBSFZJDX-MRXNPFEDSA-N
XLogP4.23
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.23
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]-3,5-dimethylbenzenesulfonamide with MolForge

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Related Compounds

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
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
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]ethanesulfonamide
CID 58499955
4-bromo-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2-methylbenzenesulfonamide
CID 58499698
2,4,6-trichloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499688
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]naphthalene-1-sulfonamide
CID 58499505
3-chloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2-methylbenzenesulfonamide
CID 58499594
N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide
CID 58500082
5-chloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,4-difluorobenzenesulfonamide
CID 58500117

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]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide (CID 58499313) is N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide is CCn1c(Oc2ccc3cc[nH]c3c2)nnc1[C@@H](C)NS(=O)(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is MDBOHTYBSFZJDX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-5-27-21(16(4)26-31(28,29)19-11-14(2)10-15(3)12-19)24-25-22(27)30-18-7-6-17-8-9-23-20(17)13-18/h6-13,16,23,26H,5H2,1-4H3/t16-/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]-3,5-dimethylbenzenesulfonamide?
N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 439.54 g/mol, XLogP of 4.23, 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]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 58499313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).