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

C24H28N6O5S — CID 58500082

IUPACN-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)c2nnc(Oc3ccc4cc[nH]c4c3)n2CC)cc1NC(C)=O
InChIInChI=1S/C24H28N6O5S/c1-5-30-23(27-28-24(30)35-18-8-7-17-11-12-25-20(17)13-18)15(3)29-36(32,33)19-9-10-22(34-6-2)21(14-19)26-16(4)31/h7-15,25,29H,5-6H2,1-4H3,(H,26,31)/t15-/m1/s1
InChIKeyGVNGCUVHSGDVLA-OAHLLOKOSA-N
MW512.59 g/mol
LogP3.97
Rot. Bonds10

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

N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 58500082) has the molecular formula C24H28N6O5S and a molecular weight of 512.59 g/mol. Its IUPAC name is N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide
PubChem CID58500082
Molecular FormulaC24H28N6O5S
Molecular Weight512.59 g/mol
Exact Mass512.18
IUPAC NameN-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N[C@H](C)c2nnc(Oc3ccc4cc[nH]c4c3)n2CC)cc1NC(C)=O
InChIInChI=1S/C24H28N6O5S/c1-5-30-23(27-28-24(30)35-18-8-7-17-11-12-25-20(17)13-18)15(3)29-36(32,33)19-9-10-22(34-6-2)21(14-19)26-16(4)31/h7-15,25,29H,5-6H2,1-4H3,(H,26,31)/t15-/m1/s1
InChIKeyGVNGCUVHSGDVLA-OAHLLOKOSA-N
XLogP3.97
TPSA140.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.59
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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]-4-pyridin-4-yloxybenzenesulfonamide
CID 58499659
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]ethanesulfonamide
CID 58499955
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]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 58499546
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
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
3-chloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2-methylbenzenesulfonamide
CID 58499594

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of 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) is N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide is CCOc1ccc(S(=O)(=O)N[C@H](C)c2nnc(Oc3ccc4cc[nH]c4c3)n2CC)cc1NC(C)=O.
What is the InChIKey of N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is GVNGCUVHSGDVLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H28N6O5S/c1-5-30-23(27-28-24(30)35-18-8-7-17-11-12-25-20(17)13-18)15(3)29-36(32,33)19-9-10-22(34-6-2)21(14-19)26-16(4)31/h7-15,25,29H,5-6H2,1-4H3,(H,26,31)/t15-/m1/s1.
What are the key properties of N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide?
N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 512.59 g/mol, XLogP of 3.97, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-[[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 58500082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).