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

C19H21N3O4S2 — CID 17154199

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C19H21N3O4S2/c1-3-26-14-6-9-16-17(12-14)27-19(21-16)22-18(23)10-11-20-28(24,25)15-7-4-13(2)5-8-15/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22,23)
InChIKeyQLNNHVHOONMXMY-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.31
Rot. Bonds8

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 17154199) has the molecular formula C19H21N3O4S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID17154199
Molecular FormulaC19H21N3O4S2
Molecular Weight419.53 g/mol
Exact Mass419.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C19H21N3O4S2/c1-3-26-14-6-9-16-17(12-14)27-19(21-16)22-18(23)10-11-20-28(24,25)15-7-4-13(2)5-8-15/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22,23)
InChIKeyQLNNHVHOONMXMY-UHFFFAOYSA-N
XLogP3.31
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544287
3-(4-chlorophenyl)sulfonyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 18076696
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 60842453
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 42987641
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 107907240
4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
CID 120558679
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24564334
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108747733

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 17154199) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide is CCOc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc(C)cc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is QLNNHVHOONMXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S2/c1-3-26-14-6-9-16-17(12-14)27-19(21-16)22-18(23)10-11-20-28(24,25)15-7-4-13(2)5-8-15/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 419.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17154199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).