3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide

C18H18N4O3S — CID 47034434

IUPAC3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCCC(=O)Nc1ccccn1
InChIInChI=1S/C18H18N4O3S/c23-16(22-15-7-3-4-9-19-15)8-10-20-17(24)11-14-18(25)21-12-5-1-2-6-13(12)26-14/h1-7,9,14H,8,10-11H2,(H,20,24)(H,21,25)(H,19,22,23)
InChIKeyAATPUDFRWQOIHS-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.03
Rot. Bonds6

About 3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide

3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide (PubChem CID 47034434) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide
PubChem CID47034434
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide
SMILESO=C(CC1Sc2ccccc2NC1=O)NCCC(=O)Nc1ccccn1
InChIInChI=1S/C18H18N4O3S/c23-16(22-15-7-3-4-9-19-15)8-10-20-17(24)11-14-18(25)21-12-5-1-2-6-13(12)26-14/h1-7,9,14H,8,10-11H2,(H,20,24)(H,21,25)(H,19,22,23)
InChIKeyAATPUDFRWQOIHS-UHFFFAOYSA-N
XLogP2.03
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-pyrazin-2-ylacetamide
CID 11837212
N,N-dimethyl-3-[[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 94798573
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 3405175
N-[2-(dimethylamino)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40591425
N-[2-(4-chlorophenoxy)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 92785319
N-[2-(2-methylphenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41013278
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 47078473
N-[3-(2-fluorophenoxy)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 17410958
N-[3-(N-methylanilino)propyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 27753834
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-phenylsulfanylpropyl)acetamide
CID 51161456

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide (CID 47034434) is 3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide is O=C(CC1Sc2ccccc2NC1=O)NCCC(=O)Nc1ccccn1.
What is the InChIKey of 3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide?
The InChIKey is AATPUDFRWQOIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-16(22-15-7-3-4-9-19-15)8-10-20-17(24)11-14-18(25)21-12-5-1-2-6-13(12)26-14/h1-7,9,14H,8,10-11H2,(H,20,24)(H,21,25)(H,19,22,23).
What are the key properties of 3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide?
3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide has a molecular weight of 370.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 47034434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).