1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide

C19H18N4O4S — CID 110323374

IUPAC1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCCc3nc(-c4ccccc4)no3)ccc21
InChIInChI=1S/C19H18N4O4S/c1-23-16-8-7-15(11-14(16)12-18(23)24)28(25,26)20-10-9-17-21-19(22-27-17)13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3
InChIKeyDFEQPCFREUGLAZ-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.78
Rot. Bonds6

About 1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide

1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide (PubChem CID 110323374) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide
PubChem CID110323374
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCCc3nc(-c4ccccc4)no3)ccc21
InChIInChI=1S/C19H18N4O4S/c1-23-16-8-7-15(11-14(16)12-18(23)24)28(25,26)20-10-9-17-21-19(22-27-17)13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3
InChIKeyDFEQPCFREUGLAZ-UHFFFAOYSA-N
XLogP1.78
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 113083966
1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 110722075
4-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 4895698
1-methyl-2-oxo-N-[(5-phenylthiophen-2-yl)methyl]-3H-indole-5-sulfonamide
CID 110292520
1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
N-[2-(1,3-dioxan-2-yl)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110370188
N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099946
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 4870862
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112
1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
CID 3163725
N-[2-(2-fluorophenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099232

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide (CID 110323374) is 1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)NCCc3nc(-c4ccccc4)no3)ccc21.
What is the InChIKey of 1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide?
The InChIKey is DFEQPCFREUGLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-23-16-8-7-15(11-14(16)12-18(23)24)28(25,26)20-10-9-17-21-19(22-27-17)13-5-3-2-4-6-13/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of 1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide?
1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide has a molecular weight of 398.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-3H-indole-5-sulfonamide is sourced from PubChem (CID 110323374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).