N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C20H23N3O2S — CID 2453316

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1)C(C)C
InChIInChI=1S/C20H23N3O2S/c1-4-23(13(2)3)16-8-6-15(7-9-16)21-20(25)14-5-10-18-17(11-14)22-19(24)12-26-18/h5-11,13H,4,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyHCZFDTGEHYBKRC-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.22
Rot. Bonds5

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 2453316) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID2453316
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCN(c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1)C(C)C
InChIInChI=1S/C20H23N3O2S/c1-4-23(13(2)3)16-8-6-15(7-9-16)21-20(25)14-5-10-18-17(11-14)22-19(24)12-26-18/h5-11,13H,4,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyHCZFDTGEHYBKRC-UHFFFAOYSA-N
XLogP4.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(ethylcarbamoyl)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55753946
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
N-[6-(diethylamino)-3-pyridinyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55784088
N-[4-(4-methylphenoxy)phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7980632
N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 20967217
N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023514
N-(4-morpholin-4-ylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7922294
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18267387
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2453325
N-ethoxy-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 17412810
3,5-dimethyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 37015182
3-oxo-N-(4-pyrrolidin-1-ylsulfanylphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 162521027

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 2453316) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCN(c1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is HCZFDTGEHYBKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-4-23(13(2)3)16-8-6-15(7-9-16)21-20(25)14-5-10-18-17(11-14)22-19(24)12-26-18/h5-11,13H,4,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 2453316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).