N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide

C18H17N3O2S — CID 3235768

IUPACN-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide
SMILESCN1C(=O)CSc2ccc(NC(=O)N3CCc4ccccc43)cc21
InChIInChI=1S/C18H17N3O2S/c1-20-15-10-13(6-7-16(15)24-11-17(20)22)19-18(23)21-9-8-12-4-2-3-5-14(12)21/h2-7,10H,8-9,11H2,1H3,(H,19,23)
InChIKeyMXKBTGORQKJIPR-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.35
Rot. Bonds1

About N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide

N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide (PubChem CID 3235768) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide
PubChem CID3235768
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide
SMILESCN1C(=O)CSc2ccc(NC(=O)N3CCc4ccccc43)cc21
InChIInChI=1S/C18H17N3O2S/c1-20-15-10-13(6-7-16(15)24-11-17(20)22)19-18(23)21-9-8-12-4-2-3-5-14(12)21/h2-7,10H,8-9,11H2,1H3,(H,19,23)
InChIKeyMXKBTGORQKJIPR-UHFFFAOYSA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
CID 144672697
CID 144672697
N-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)-2,3-dihydroindole-1-carboxamide
CID 56690712
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905
N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220949
N-(5-benzyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 20887944
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687
N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 90283420
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907134
N-(3-hydroxy-4-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224339

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide (CID 3235768) is N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide is CN1C(=O)CSc2ccc(NC(=O)N3CCc4ccccc43)cc21.
What is the InChIKey of N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is MXKBTGORQKJIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-20-15-10-13(6-7-16(15)24-11-17(20)22)19-18(23)21-9-8-12-4-2-3-5-14(12)21/h2-7,10H,8-9,11H2,1H3,(H,19,23).
What are the key properties of N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide?
N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 3235768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).