N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C22H21ClN4O4S — CID 46291117

IUPACN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccc(Cl)cc2N(CC(=O)Nc2cc(C)c3nc(NC(C)=O)sc3c2)C1=O
InChIInChI=1S/C22H21ClN4O4S/c1-4-16-21(30)27(15-8-13(23)5-6-17(15)31-16)10-19(29)25-14-7-11(2)20-18(9-14)32-22(26-20)24-12(3)28/h5-9,16H,4,10H2,1-3H3,(H,25,29)(H,24,26,28)
InChIKeyOQDPFMDPLZYISC-UHFFFAOYSA-N
MW472.95 g/mol
LogP4.36
Rot. Bonds5

About N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 46291117) has the molecular formula C22H21ClN4O4S and a molecular weight of 472.95 g/mol. Its IUPAC name is N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID46291117
Molecular FormulaC22H21ClN4O4S
Molecular Weight472.95 g/mol
Exact Mass472.10
IUPAC NameN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccc(Cl)cc2N(CC(=O)Nc2cc(C)c3nc(NC(C)=O)sc3c2)C1=O
InChIInChI=1S/C22H21ClN4O4S/c1-4-16-21(30)27(15-8-13(23)5-6-17(15)31-16)10-19(29)25-14-7-11(2)20-18(9-14)32-22(26-20)24-12(3)28/h5-9,16H,4,10H2,1-3H3,(H,25,29)(H,24,26,28)
InChIKeyOQDPFMDPLZYISC-UHFFFAOYSA-N
XLogP4.36
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 46291131
2-[(2S)-6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 7080943
N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3267583
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3225047
6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
CID 3526127
N-[6-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]propanamide
CID 46325867
4-(2-amino-2-methylpropyl)-6-chloro-2-ethyl-1,4-benzoxazin-3-one
CID 82143212
2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-fluorophenyl)acetamide
CID 23409151
N-[5-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-1,3-benzothiazol-2-yl]-2-methylpropanamide
CID 46328788
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 5017270
N-(4-butylphenyl)-2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409217
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 3224987

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 46291117) is N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CCC1Oc2ccc(Cl)cc2N(CC(=O)Nc2cc(C)c3nc(NC(C)=O)sc3c2)C1=O.
What is the InChIKey of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is OQDPFMDPLZYISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O4S/c1-4-16-21(30)27(15-8-13(23)5-6-17(15)31-16)10-19(29)25-14-7-11(2)20-18(9-14)32-22(26-20)24-12(3)28/h5-9,16H,4,10H2,1-3H3,(H,25,29)(H,24,26,28).
What are the key properties of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 472.95 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 46291117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).