N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

C19H20N2O3S — CID 75769994

IUPACN-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)N(CCO)Cc2ccccc2)Sc2ccccc2NC1=O
InChIInChI=1S/C19H20N2O3S/c1-19(17(23)20-15-9-5-6-10-16(15)25-19)18(24)21(11-12-22)13-14-7-3-2-4-8-14/h2-10,22H,11-13H2,1H3,(H,20,23)
InChIKeyOUWHKSNZSRFUID-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.51
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide

N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75769994) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75769994
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCC1(C(=O)N(CCO)Cc2ccccc2)Sc2ccccc2NC1=O
InChIInChI=1S/C19H20N2O3S/c1-19(17(23)20-15-9-5-6-10-16(15)25-19)18(24)21(11-12-22)13-14-7-3-2-4-8-14/h2-10,22H,11-13H2,1H3,(H,20,23)
InChIKeyOUWHKSNZSRFUID-UHFFFAOYSA-N
XLogP2.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride
CID 171338056
2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide
CID 75767660
4-[(2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl)amino]butanoic acid
CID 75796903
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62116197
1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 54870816
(2S)-N-benzyl-N-(2-hydroxyethyl)-2,4-dimethylmorpholine-2-carboxamide
CID 95839270
N-benzyl-1-carbamothioyl-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80591899
2-methyl-3-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-1,4-benzothiazine-2-carboxamide
CID 75770004
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
4-amino-N-benzyl-N-(2-hydroxyethyl)-3-methyloxolane-3-carboxamide
CID 66250442

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (CID 75769994) is N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is CC1(C(=O)N(CCO)Cc2ccccc2)Sc2ccccc2NC1=O.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is OUWHKSNZSRFUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-19(17(23)20-15-9-5-6-10-16(15)25-19)18(24)21(11-12-22)13-14-7-3-2-4-8-14/h2-10,22H,11-13H2,1H3,(H,20,23).
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75769994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).