N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C19H21N3O3S — CID 7972800

IUPACN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc2N1
InChIInChI=1S/C19H21N3O3S/c23-18-12-26-17-6-5-13(10-14(17)21-18)19(24)20-11-15(16-4-3-9-25-16)22-7-1-2-8-22/h3-6,9-10,15H,1-2,7-8,11-12H2,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeyIMWUQMVCSIUMII-OAHLLOKOSA-N
MW371.46 g/mol
LogP2.89
Rot. Bonds5

About N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 7972800) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID7972800
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc2N1
InChIInChI=1S/C19H21N3O3S/c23-18-12-26-17-6-5-13(10-14(17)21-18)19(24)20-11-15(16-4-3-9-25-16)22-7-1-2-8-22/h3-6,9-10,15H,1-2,7-8,11-12H2,(H,20,24)(H,21,23)/t15-/m1/s1
InChIKeyIMWUQMVCSIUMII-OAHLLOKOSA-N
XLogP2.89
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4879008
[(1S)-1-(furan-2-yl)-2-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]-dimethylazanium
CID 8019423
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 4780259
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 34669940
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 31638116
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 7972800) is N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)NC[C@H](c3ccco3)N3CCCC3)cc2N1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is IMWUQMVCSIUMII-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-18-12-26-17-6-5-13(10-14(17)21-18)19(24)20-11-15(16-4-3-9-25-16)22-7-1-2-8-22/h3-6,9-10,15H,1-2,7-8,11-12H2,(H,20,24)(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 7972800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).