2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide

C17H23N3O4S2 — CID 4057276

IUPAC2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
SMILESCCC(CC)C(=O)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1
InChIInChI=1S/C17H23N3O4S2/c1-3-12(4-2)16(21)19-17-18-14-6-5-13(11-15(14)25-17)26(22,23)20-7-9-24-10-8-20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,19,21)
InChIKeyBTJMXVFXEOFKGE-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.69
Rot. Bonds6

About 2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide

2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide (PubChem CID 4057276) has the molecular formula C17H23N3O4S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
PubChem CID4057276
Molecular FormulaC17H23N3O4S2
Molecular Weight397.52 g/mol
Exact Mass397.11
IUPAC Name2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
SMILESCCC(CC)C(=O)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1
InChIInChI=1S/C17H23N3O4S2/c1-3-12(4-2)16(21)19-17-18-14-6-5-13(11-15(14)25-17)26(22,23)20-7-9-24-10-8-20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,19,21)
InChIKeyBTJMXVFXEOFKGE-UHFFFAOYSA-N
XLogP2.69
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 4219162
2-methyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 4295098
2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 26243825
1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol
CID 154604273
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 4163586
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 4107859
2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 43853367
4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2553186
2-bromo-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 4112345
4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine
CID 847943
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 55625107
1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol
CID 154653482

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of 2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide (CID 4057276) is 2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide is CCC(CC)C(=O)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1.
What is the InChIKey of 2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is BTJMXVFXEOFKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S2/c1-3-12(4-2)16(21)19-17-18-14-6-5-13(11-15(14)25-17)26(22,23)20-7-9-24-10-8-20/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,19,21).
What are the key properties of 2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 397.52 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 4057276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).