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

C20H23N3O3S — CID 4879008

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NCC(c3ccco3)N3CCCCC3)cc2N1
InChIInChI=1S/C20H23N3O3S/c24-19-13-27-18-7-6-14(11-15(18)22-19)20(25)21-12-16(17-5-4-10-26-17)23-8-2-1-3-9-23/h4-7,10-11,16H,1-3,8-9,12-13H2,(H,21,25)(H,22,24)
InChIKeyMBXIZXGJJXYJBC-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.28
Rot. Bonds5

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

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 4879008) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID4879008
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)NCC(c3ccco3)N3CCCCC3)cc2N1
InChIInChI=1S/C20H23N3O3S/c24-19-13-27-18-7-6-14(11-15(18)22-19)20(25)21-12-16(17-5-4-10-26-17)23-8-2-1-3-9-23/h4-7,10-11,16H,1-3,8-9,12-13H2,(H,21,25)(H,22,24)
InChIKeyMBXIZXGJJXYJBC-UHFFFAOYSA-N
XLogP3.28
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7972800
[(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-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 4780259
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 26834257
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
3,4-diethoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4807732
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 112503347
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35691476
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
3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 55648424

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 4879008) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)NCC(c3ccco3)N3CCCCC3)cc2N1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is MBXIZXGJJXYJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-19-13-27-18-7-6-14(11-15(18)22-19)20(25)21-12-16(17-5-4-10-26-17)23-8-2-1-3-9-23/h4-7,10-11,16H,1-3,8-9,12-13H2,(H,21,25)(H,22,24).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4879008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).