N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide

C23H26N4O5S — CID 71788718

IUPACN'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCn1cc(C(O)CNC(=O)C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C23H26N4O5S/c1-26-15-19(18-6-2-3-7-20(18)26)21(28)14-24-22(29)23(30)25-16-8-10-17(11-9-16)27-12-4-5-13-33(27,31)32/h2-3,6-11,15,21,28H,4-5,12-14H2,1H3,(H,24,29)(H,25,30)
InChIKeyFJIQNYARIHUVPY-UHFFFAOYSA-N
MW470.55 g/mol
LogP1.90
Rot. Bonds5

About N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide

N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide (PubChem CID 71788718) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
PubChem CID71788718
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
SMILESCn1cc(C(O)CNC(=O)C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C23H26N4O5S/c1-26-15-19(18-6-2-3-7-20(18)26)21(28)14-24-22(29)23(30)25-16-8-10-17(11-9-16)27-12-4-5-13-33(27,31)32/h2-3,6-11,15,21,28H,4-5,12-14H2,1H3,(H,24,29)(H,25,30)
InChIKeyFJIQNYARIHUVPY-UHFFFAOYSA-N
XLogP1.90
TPSA120.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3,5-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535242
N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-(2-phenylethyl)oxamide
CID 7584678
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-pyridin-3-yloxamide
CID 97414117
N'-(3-fluoro-4-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 71788710
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535246
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 90535235
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90535296
N-[2-(dimethylamino)ethyl]-N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]oxamide
CID 7584659
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
N'-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90490981
N'-(5-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535276
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90535253

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The IUPAC name of N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide (CID 71788718) is N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide.
What is the SMILES notation for N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The canonical SMILES for N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide is Cn1cc(C(O)CNC(=O)C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c2ccccc21.
What is the InChIKey of N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
The InChIKey is FJIQNYARIHUVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-26-15-19(18-6-2-3-7-20(18)26)21(28)14-24-22(29)23(30)25-16-8-10-17(11-9-16)27-12-4-5-13-33(27,31)32/h2-3,6-11,15,21,28H,4-5,12-14H2,1H3,(H,24,29)(H,25,30).
What are the key properties of N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide?
N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide has a molecular weight of 470.55 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]oxamide is sourced from PubChem (CID 71788718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).