3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide

C17H13BrN2O2S — CID 71683095

IUPAC3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
SMILESO=C(CCc1ccccc1Br)Nc1nc2ccccc2c(=O)s1
InChIInChI=1S/C17H13BrN2O2S/c18-13-7-3-1-5-11(13)9-10-15(21)20-17-19-14-8-4-2-6-12(14)16(22)23-17/h1-8H,9-10H2,(H,19,20,21)
InChIKeyDYLRLQKNGUWTPT-UHFFFAOYSA-N
MW389.27 g/mol
LogP3.99
Rot. Bonds4

About 3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide

3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide (PubChem CID 71683095) has the molecular formula C17H13BrN2O2S and a molecular weight of 389.27 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
PubChem CID71683095
Molecular FormulaC17H13BrN2O2S
Molecular Weight389.27 g/mol
Exact Mass387.99
IUPAC Name3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
SMILESO=C(CCc1ccccc1Br)Nc1nc2ccccc2c(=O)s1
InChIInChI=1S/C17H13BrN2O2S/c18-13-7-3-1-5-11(13)9-10-15(21)20-17-19-14-8-4-2-6-12(14)16(22)23-17/h1-8H,9-10H2,(H,19,20,21)
InChIKeyDYLRLQKNGUWTPT-UHFFFAOYSA-N
XLogP3.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2,3-dimethylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135513990
2-[(4-ethylphenyl)amino]-4H-3,1-benzothiazin-4-one
CID 2905565
Stk723913
CID 135408573
4-Methyl-N-(4-oxo-4H-benzo[d][1,3]thiazin-2-yl)-benzamide
CID 648853
N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
CID 71680733
(E)-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbut-3-enamide
CID 71680890
N-methyl-N-(4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
CID 71681050
N-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
CID 71681051
N-(4-oxo-3,1-benzothiazin-2-yl)-3-phenylpropanamide
CID 71683091
3-(2-fluorophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide
CID 71683094
2-[(2-methylphenyl)methylsulfanyl]-1H-quinazolin-4-one
CID 135401488
2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-3H-quinazolin-4-one
CID 135515805

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide (CID 71683095) is 3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide is O=C(CCc1ccccc1Br)Nc1nc2ccccc2c(=O)s1.
What is the InChIKey of 3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
The InChIKey is DYLRLQKNGUWTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2S/c18-13-7-3-1-5-11(13)9-10-15(21)20-17-19-14-8-4-2-6-12(14)16(22)23-17/h1-8H,9-10H2,(H,19,20,21).
What are the key properties of 3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide?
3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide has a molecular weight of 389.27 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(4-oxo-3,1-benzothiazin-2-yl)propanamide is sourced from PubChem (CID 71683095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).