3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide

C19H17N3O3S — CID 51118129

IUPAC3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C19H17N3O3S/c1-10(11-2-4-14-13(6-11)8-17(23)21-14)20-19(25)12-3-5-16-15(7-12)22-18(24)9-26-16/h2-7,10H,8-9H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyXUNZLIDGKINMSV-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.72
Rot. Bonds3

About 3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide

3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 51118129) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide
PubChem CID51118129
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C19H17N3O3S/c1-10(11-2-4-14-13(6-11)8-17(23)21-14)20-19(25)12-3-5-16-15(7-12)22-18(24)9-26-16/h2-7,10H,8-9H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyXUNZLIDGKINMSV-UHFFFAOYSA-N
XLogP2.72
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17420016
N-(6-methylheptan-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4877312
N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 124605984
2-oxo-N-(1-pyridin-4-ylethyl)-1,3-dihydroindole-6-carboxamide
CID 102711761
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 166228682
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
CID 60516922
5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide
CID 71940657
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405
4-methoxy-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 120701904
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
2-oxo-N-(1-thiophen-2-ylethyl)-1,3-dihydroindole-6-carboxamide
CID 102711764

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide (CID 51118129) is 3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide is CC(NC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is XUNZLIDGKINMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-10(11-2-4-14-13(6-11)8-17(23)21-14)20-19(25)12-3-5-16-15(7-12)22-18(24)9-26-16/h2-7,10H,8-9H2,1H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of 3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide?
3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 51118129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).