(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C18H25N3O4S — CID 92696395

IUPAC(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCOCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2
InChIInChI=1S/C18H25N3O4S/c1-2-24-9-3-6-19-16(22)13-4-5-15-14(12-13)20-17(23)18(26-15)21-7-10-25-11-8-21/h4-5,12,18H,2-3,6-11H2,1H3,(H,19,22)(H,20,23)/t18-/m0/s1
InChIKeyPQOWKIXUXKXUEQ-SFHVURJKSA-N
MW379.48 g/mol
LogP1.55
Rot. Bonds7

About (2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 92696395) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is (2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID92696395
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCCOCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2
InChIInChI=1S/C18H25N3O4S/c1-2-24-9-3-6-19-16(22)13-4-5-15-14(12-13)20-17(23)18(26-15)21-7-10-25-11-8-21/h4-5,12,18H,2-3,6-11H2,1H3,(H,19,22)(H,20,23)/t18-/m0/s1
InChIKeyPQOWKIXUXKXUEQ-SFHVURJKSA-N
XLogP1.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-3-oxo-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4303287
(2R)-N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 92696398
N-(3-methylbutyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4615175
2-morpholin-4-yl-3-oxo-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 4171015
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 3569380
2-morpholin-4-yl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzothiazine-6-carboxamide
CID 3240039
N-butyl-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4565576
N-[(4-methylphenyl)methyl]-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 5054274
3-oxo-2-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 3239345
(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 99736744
N-(3-methylbutyl)-3-oxo-2-piperidin-1-yl-4H-1,4-benzothiazine-6-carboxamide
CID 4148216
(2R)-2-morpholin-4-yl-3-oxo-N-[(1R)-1-phenylethyl]-4H-1,4-benzothiazine-6-carboxamide
CID 92696425

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 92696395) is (2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CCOCCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2.
What is the InChIKey of (2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is PQOWKIXUXKXUEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-2-24-9-3-6-19-16(22)13-4-5-15-14(12-13)20-17(23)18(26-15)21-7-10-25-11-8-21/h4-5,12,18H,2-3,6-11H2,1H3,(H,19,22)(H,20,23)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
(2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethoxypropyl)-2-morpholin-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 92696395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).