4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide

C19H18ClN3O2S — CID 42883227

IUPAC4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide
SMILESCCN(CC)c1nc(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2s1
InChIInChI=1S/C19H18ClN3O2S/c1-3-23(4-2)19-22-18(25)15-11-14(9-10-16(15)26-19)21-17(24)12-5-7-13(20)8-6-12/h5-11H,3-4H2,1-2H3,(H,21,24)
InChIKeySUWDBHIYPHDNIL-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.41
Rot. Bonds5

About 4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide

4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide (PubChem CID 42883227) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide
PubChem CID42883227
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide
SMILESCCN(CC)c1nc(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2s1
InChIInChI=1S/C19H18ClN3O2S/c1-3-23(4-2)19-22-18(25)15-11-14(9-10-16(15)26-19)21-17(24)12-5-7-13(20)8-6-12/h5-11H,3-4H2,1-2H3,(H,21,24)
InChIKeySUWDBHIYPHDNIL-UHFFFAOYSA-N
XLogP4.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-3,3-dimethylbutanamide
CID 42695010
N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide
CID 42695019
2-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]-2-fluoroacetamide;2,2,2-trifluoroacetic acid
CID 166430942
N-[3-amino-4-(diethylamino)phenyl]-4-chlorobenzamide
CID 91676407
2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525036
5-[(4-chlorobenzoyl)amino]-2-(diethylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146060792
2-(diethylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
4-chloro-N-[4-[ethenyl(ethyl)amino]-3-methylphenyl]benzamide
CID 143193165
methyl 3-ethoxy-5-[(4-ethoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 46380784
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100540586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide (CID 42883227) is 4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide is CCN(CC)c1nc(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2s1.
What is the InChIKey of 4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide?
The InChIKey is SUWDBHIYPHDNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-3-23(4-2)19-22-18(25)15-11-14(9-10-16(15)26-19)21-17(24)12-5-7-13(20)8-6-12/h5-11H,3-4H2,1-2H3,(H,21,24).
What are the key properties of 4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide?
4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide has a molecular weight of 387.89 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]benzamide is sourced from PubChem (CID 42883227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).