(2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone

C24H27N3O3S — CID 47067075

IUPAC(2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone
SMILESO=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCCC1C1CCCCC1
InChIInChI=1S/C24H27N3O3S/c28-24(27-16-6-10-21(27)17-7-2-1-3-8-17)18-12-14-19(15-13-18)25-23-20-9-4-5-11-22(20)31(29,30)26-23/h4-5,9,11-15,17,21H,1-3,6-8,10,16H2,(H,25,26)
InChIKeyRUQZXEMAIMWQHH-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.43
Rot. Bonds3

About (2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone

(2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone (PubChem CID 47067075) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is (2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone.

Molecular Properties

Compound Name(2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone
PubChem CID47067075
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name(2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone
SMILESO=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCCC1C1CCCCC1
InChIInChI=1S/C24H27N3O3S/c28-24(27-16-6-10-21(27)17-7-2-1-3-8-17)18-12-14-19(15-13-18)25-23-20-9-4-5-11-22(20)31(29,30)26-23/h4-5,9,11-15,17,21H,1-3,6-8,10,16H2,(H,25,26)
InChIKeyRUQZXEMAIMWQHH-UHFFFAOYSA-N
XLogP4.43
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone?
The IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone (CID 47067075) is (2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone.
What is the SMILES notation for (2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone?
The canonical SMILES for (2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone is O=C(c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)N1CCCC1C1CCCCC1.
What is the InChIKey of (2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone?
The InChIKey is RUQZXEMAIMWQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c28-24(27-16-6-10-21(27)17-7-2-1-3-8-17)18-12-14-19(15-13-18)25-23-20-9-4-5-11-22(20)31(29,30)26-23/h4-5,9,11-15,17,21H,1-3,6-8,10,16H2,(H,25,26).
What are the key properties of (2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone?
(2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone has a molecular weight of 437.57 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylpyrrolidin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone is sourced from PubChem (CID 47067075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).