(2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate

C25H18N2O5S3 — CID 2385509

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C25H18N2O5S3/c28-23(27-19-10-3-5-12-21(19)34-22-13-6-4-11-20(22)27)16-32-25(29)17-8-1-2-9-18(17)26-35(30,31)24-14-7-15-33-24/h1-15,26H,16H2
InChIKeyRJPRXVKMGNCMKH-UHFFFAOYSA-N
MW522.63 g/mol
LogP5.54
Rot. Bonds6

About (2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate

(2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 2385509) has the molecular formula C25H18N2O5S3 and a molecular weight of 522.63 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID2385509
Molecular FormulaC25H18N2O5S3
Molecular Weight522.63 g/mol
Exact Mass522.04
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
SMILESO=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C25H18N2O5S3/c28-23(27-19-10-3-5-12-21(19)34-22-13-6-4-11-20(22)27)16-32-25(29)17-8-1-2-9-18(17)26-35(30,31)24-14-7-15-33-24/h1-15,26H,16H2
InChIKeyRJPRXVKMGNCMKH-UHFFFAOYSA-N
XLogP5.54
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.63
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620159
[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 24530687
[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2380169
2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30906041
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620113
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 7371081
butyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 18157559
2-phenoxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16595121
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620126
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16539393
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30591354

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate (CID 2385509) is (2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate is O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is RJPRXVKMGNCMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O5S3/c28-23(27-19-10-3-5-12-21(19)34-22-13-6-4-11-20(22)27)16-32-25(29)17-8-1-2-9-18(17)26-35(30,31)24-14-7-15-33-24/h1-15,26H,16H2.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate?
(2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 522.63 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenothiazin-10-ylethyl) 2-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 2385509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).