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

C19H21N3O3S — CID 4148214

IUPACN-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2
InChIInChI=1S/C19H21N3O3S/c23-17(20-12-14-5-4-10-25-14)13-6-7-16-15(11-13)21-18(24)19(26-16)22-8-2-1-3-9-22/h4-7,10-11,19H,1-3,8-9,12H2,(H,20,23)(H,21,24)
InChIKeyXZHIGNIKIJANHC-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.07
Rot. Bonds4

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

N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 4148214) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
PubChem CID4148214
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2
InChIInChI=1S/C19H21N3O3S/c23-17(20-12-14-5-4-10-25-14)13-6-7-16-15(11-13)21-18(24)19(26-16)22-8-2-1-3-9-22/h4-7,10-11,19H,1-3,8-9,12H2,(H,20,23)(H,21,24)
InChIKeyXZHIGNIKIJANHC-UHFFFAOYSA-N
XLogP3.07
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4565576
3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 3239345
2-morpholin-4-yl-3-oxo-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 4171015
N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5054274
(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 99736744
N-(furan-2-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711822
N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4615175
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3569380
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 31638116
2-morpholin-4-yl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzothiazine-6-carboxamide
CID 3240039
N-(furan-2-ylmethyl)-4-piperidin-1-ylbenzamide
CID 53282405
6-(4-phenylpiperazine-1-carbonyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazin-3-one
CID 3451185

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide (CID 4148214) is N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide is O=C(NCc1ccco1)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2.
What is the InChIKey of N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is XZHIGNIKIJANHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17(20-12-14-5-4-10-25-14)13-6-7-16-15(11-13)21-18(24)19(26-16)22-8-2-1-3-9-22/h4-7,10-11,19H,1-3,8-9,12H2,(H,20,23)(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide?
N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 4148214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).