3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide

C20H21FN4O4S2 — CID 24637733

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C20H21FN4O4S2/c21-14-1-4-16(5-2-14)31(27,28)22-8-7-19(26)23-15-3-6-17-18(13-15)30-20(24-17)25-9-11-29-12-10-25/h1-6,13,22H,7-12H2,(H,23,26)
InChIKeyXWSREEGLIBWAKZ-UHFFFAOYSA-N
MW464.54 g/mol
LogP2.58
Rot. Bonds7

About 3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 24637733) has the molecular formula C20H21FN4O4S2 and a molecular weight of 464.54 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
PubChem CID24637733
Molecular FormulaC20H21FN4O4S2
Molecular Weight464.54 g/mol
Exact Mass464.10
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C20H21FN4O4S2/c21-14-1-4-16(5-2-14)31(27,28)22-8-7-19(26)23-15-3-6-17-18(13-15)30-20(24-17)25-9-11-29-12-10-25/h1-6,13,22H,7-12H2,(H,23,26)
InChIKeyXWSREEGLIBWAKZ-UHFFFAOYSA-N
XLogP2.58
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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3-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
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N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 29099805
3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18280052
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide (CID 24637733) is 3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide is O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is XWSREEGLIBWAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S2/c21-14-1-4-16(5-2-14)31(27,28)22-8-7-19(26)23-15-3-6-17-18(13-15)30-20(24-17)25-9-11-29-12-10-25/h1-6,13,22H,7-12H2,(H,23,26).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 464.54 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 24637733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).