2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

C17H22ClN3O2S — CID 119530301

IUPAC2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1CCNC1
InChIInChI=1S/C17H22ClN3O2S/c1-2-7-21(12-5-6-19-10-12)16(22)9-15-17(23)20-13-8-11(18)3-4-14(13)24-15/h3-4,8,12,15,19H,2,5-7,9-10H2,1H3,(H,20,23)
InChIKeyFNUZUJZSKLEILZ-UHFFFAOYSA-N
MW367.90 g/mol
LogP2.74
Rot. Bonds5

About 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119530301) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
PubChem CID119530301
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1CCNC1
InChIInChI=1S/C17H22ClN3O2S/c1-2-7-21(12-5-6-19-10-12)16(22)9-15-17(23)20-13-8-11(18)3-4-14(13)24-15/h3-4,8,12,15,19H,2,5-7,9-10H2,1H3,(H,20,23)
InChIKeyFNUZUJZSKLEILZ-UHFFFAOYSA-N
XLogP2.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823531
2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119530696
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 26646962
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460553
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 55957891
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119555663
3-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812
3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119533142
N-cyclohexyl-N-ethyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 46087527

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (CID 119530301) is 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide is CCCN(C(=O)CC1Sc2ccc(Cl)cc2NC1=O)C1CCNC1.
What is the InChIKey of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is FNUZUJZSKLEILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-2-7-21(12-5-6-19-10-12)16(22)9-15-17(23)20-13-8-11(18)3-4-14(13)24-15/h3-4,8,12,15,19H,2,5-7,9-10H2,1H3,(H,20,23).
What are the key properties of 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 367.90 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-propyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119530301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).