N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

C20H19N3O2S — CID 75767676

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)NCCc2c[nH]c3ccccc23)Sc2ccccc2NC1=O
InChIInChI=1S/C20H19N3O2S/c1-20(19(25)23-16-8-4-5-9-17(16)26-20)18(24)21-11-10-13-12-22-15-7-3-2-6-14(13)15/h2-9,12,22H,10-11H2,1H3,(H,21,24)(H,23,25)
InChIKeyYRBZIRFFIUWXMX-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.33
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75767676) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75767676
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)NCCc2c[nH]c3ccccc23)Sc2ccccc2NC1=O
InChIInChI=1S/C20H19N3O2S/c1-20(19(25)23-16-8-4-5-9-17(16)26-20)18(24)21-11-10-13-12-22-15-7-3-2-6-14(13)15/h2-9,12,22H,10-11H2,1H3,(H,21,24)(H,23,25)
InChIKeyYRBZIRFFIUWXMX-UHFFFAOYSA-N
XLogP3.33
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
1-N'-[2-(dimethylamino)ethyl]-1-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973434
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
tert-butyl N-[1-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropyl]carbamate
CID 71851484
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (CID 75767676) is N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is CC1(C(=O)NCCc2c[nH]c3ccccc23)Sc2ccccc2NC1=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is YRBZIRFFIUWXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-20(19(25)23-16-8-4-5-9-17(16)26-20)18(24)21-11-10-13-12-22-15-7-3-2-6-14(13)15/h2-9,12,22H,10-11H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75767676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).