3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C18H19N3O4S2 — CID 7455252

IUPAC3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCn2c(=O)sc3ccccc32)cc1
InChIInChI=1S/C18H19N3O4S2/c19-27(24,25)14-7-5-13(6-8-14)9-11-20-17(22)10-12-21-15-3-1-2-4-16(15)26-18(21)23/h1-8H,9-12H2,(H,20,22)(H2,19,24,25)
InChIKeyRIHWZHXARQUBJF-UHFFFAOYSA-N
MW405.50 g/mol
LogP1.46
Rot. Bonds7

About 3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 7455252) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID7455252
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC Name3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCn2c(=O)sc3ccccc32)cc1
InChIInChI=1S/C18H19N3O4S2/c19-27(24,25)14-7-5-13(6-8-14)9-11-20-17(22)10-12-21-15-3-1-2-4-16(15)26-18(21)23/h1-8H,9-12H2,(H,20,22)(H2,19,24,25)
InChIKeyRIHWZHXARQUBJF-UHFFFAOYSA-N
XLogP1.46
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 7455252) is 3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCn2c(=O)sc3ccccc32)cc1.
What is the InChIKey of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is RIHWZHXARQUBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c19-27(24,25)14-7-5-13(6-8-14)9-11-20-17(22)10-12-21-15-3-1-2-4-16(15)26-18(21)23/h1-8H,9-12H2,(H,20,22)(H2,19,24,25).
What are the key properties of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 405.50 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 7455252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).