4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide

C20H19ClN4O2S — CID 134131085

IUPAC4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nc(=O)c4cc(Cl)ccc4s3)CC2)cc1
InChIInChI=1S/C20H19ClN4O2S/c1-13-2-5-15(6-3-13)22-19(27)24-8-10-25(11-9-24)20-23-18(26)16-12-14(21)4-7-17(16)28-20/h2-7,12H,8-11H2,1H3,(H,22,27)
InChIKeyKGGSFOOWVKRXMD-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.97
Rot. Bonds2

About 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide

4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 134131085) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID134131085
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3nc(=O)c4cc(Cl)ccc4s3)CC2)cc1
InChIInChI=1S/C20H19ClN4O2S/c1-13-2-5-15(6-3-13)22-19(27)24-8-10-25(11-9-24)20-23-18(26)16-12-14(21)4-7-17(16)28-20/h2-7,12H,8-11H2,1H3,(H,22,27)
InChIKeyKGGSFOOWVKRXMD-UHFFFAOYSA-N
XLogP3.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 134130759
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-[7-chloro-2-[(4-methylphenyl)carbamoylamino]quinolin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 21101709
4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 3891439
4-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 59993528
N-(3-chlorophenyl)-4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
CID 121081279
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
N-(3-chlorophenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 3889106
[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone
CID 2747131
4-(6-chloro-1,3-benzothiazol-2-yl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]piperazine-1-carboxamide
CID 10279949

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide (CID 134131085) is 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3nc(=O)c4cc(Cl)ccc4s3)CC2)cc1.
What is the InChIKey of 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is KGGSFOOWVKRXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-13-2-5-15(6-3-13)22-19(27)24-8-10-25(11-9-24)20-23-18(26)16-12-14(21)4-7-17(16)28-20/h2-7,12H,8-11H2,1H3,(H,22,27).
What are the key properties of 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide?
4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 414.92 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 134131085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).