(11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

C24H19NO3S — CID 1128092

IUPAC(11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESCOc1ccc(OC)c([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c1
InChIInChI=1S/C24H19NO3S/c1-27-14-11-12-19(28-2)17(13-14)24-21-22(15-7-3-4-8-16(15)23(21)26)25-18-9-5-6-10-20(18)29-24/h3-13,24-25H,1-2H3/t24-/m1/s1
InChIKeyXCUUYYPTQOBOMQ-XMMPIXPASA-N
MW401.49 g/mol
LogP5.57
Rot. Bonds3

About (11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

(11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (PubChem CID 1128092) has the molecular formula C24H19NO3S and a molecular weight of 401.49 g/mol. Its IUPAC name is (11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.

Molecular Properties

Compound Name(11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
PubChem CID1128092
Molecular FormulaC24H19NO3S
Molecular Weight401.49 g/mol
Exact Mass401.11
IUPAC Name(11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESCOc1ccc(OC)c([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c1
InChIInChI=1S/C24H19NO3S/c1-27-14-11-12-19(28-2)17(13-14)24-21-22(15-7-3-4-8-16(15)23(21)26)25-18-9-5-6-10-20(18)29-24/h3-13,24-25H,1-2H3/t24-/m1/s1
InChIKeyXCUUYYPTQOBOMQ-XMMPIXPASA-N
XLogP5.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

11-(3,4,5-trimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2950766
(11R)-11-(4-tert-butylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2202000
(11S)-11-(4-tert-butylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2201999
11-(furan-2-yl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 3129754
[4-[(11S)-12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-11-yl]phenyl] 4-methylbenzoate
CID 41339526
[4-[(11R)-12-oxo-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-11-yl]phenyl] 4-acetamidobenzenesulfonate
CID 92906381
(2S)-2-(2,5-dimethoxyphenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 1129293
2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 14244693
2-[2-[4-[2-(3,4-dimethoxyphenoxy)ethyl-methylamino]butoxy]-5-methoxyphenyl]-4H-1,4-benzothiazin-3-one;hydrochloride
CID 21284326
(11S)-11-(2-chloro-6-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 7339760
5-(2,5-dimethoxyphenyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 137083057
12-(4-methoxyphenyl)-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-10,14-dione
CID 21177329

Frequently Asked Questions

What is the IUPAC name of (11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The IUPAC name of (11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (CID 1128092) is (11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.
What is the SMILES notation for (11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The canonical SMILES for (11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is COc1ccc(OC)c([C@H]2Sc3ccccc3NC3=C2C(=O)c2ccccc23)c1.
What is the InChIKey of (11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The InChIKey is XCUUYYPTQOBOMQ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H19NO3S/c1-27-14-11-12-19(28-2)17(13-14)24-21-22(15-7-3-4-8-16(15)23(21)26)25-18-9-5-6-10-20(18)29-24/h3-13,24-25H,1-2H3/t24-/m1/s1.
What are the key properties of (11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
(11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one has a molecular weight of 401.49 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-(2,5-dimethoxyphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is sourced from PubChem (CID 1128092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).