11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

C23H17NOS — CID 3702043

IUPAC11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESCc1ccc(C2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C23H17NOS/c1-14-10-12-15(13-11-14)23-20-21(16-6-2-3-7-17(16)22(20)25)24-18-8-4-5-9-19(18)26-23/h2-13,23-24H,1H3
InChIKeyONPIGQTVAAFPBG-UHFFFAOYSA-N
MW355.46 g/mol
LogP5.86
Rot. Bonds1

About 11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (PubChem CID 3702043) has the molecular formula C23H17NOS and a molecular weight of 355.46 g/mol. Its IUPAC name is 11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.

Molecular Properties

Compound Name11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
PubChem CID3702043
Molecular FormulaC23H17NOS
Molecular Weight355.46 g/mol
Exact Mass355.10
IUPAC Name11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESCc1ccc(C2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C23H17NOS/c1-14-10-12-15(13-11-14)23-20-21(16-6-2-3-7-17(16)22(20)25)24-18-8-4-5-9-19(18)26-23/h2-13,23-24H,1H3
InChIKeyONPIGQTVAAFPBG-UHFFFAOYSA-N
XLogP5.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.46
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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C20H13Nos2
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6-(4-isopropylphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one
CID 2911006
6-[4-(trifluoromethyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
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2-methyl-N-[2-(phenylsulfanyl)phenyl]benzamide
CID 848412
4-methyl-N-[2-(phenylthio)phenyl]benzamide
CID 970684
11-(4-Bromophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2840340
6-(4-propylphenyl)-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
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N-[4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl]acetamide
CID 4243321
6-(2-fluorophenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
CID 4892796
(2Z)-2-[2-(4-ethylphenyl)-2-oxoethylidene]-2H-1,4-benzothiazin-3(4H)-one
CID 12005092

Frequently Asked Questions

What is the IUPAC name of 11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The IUPAC name of 11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (CID 3702043) is 11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.
What is the SMILES notation for 11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The canonical SMILES for 11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is Cc1ccc(C2Sc3ccccc3NC3=C2C(=O)c2ccccc23)cc1.
What is the InChIKey of 11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The InChIKey is ONPIGQTVAAFPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NOS/c1-14-10-12-15(13-11-14)23-20-21(16-6-2-3-7-17(16)22(20)25)24-18-8-4-5-9-19(18)26-23/h2-13,23-24H,1H3.
What are the key properties of 11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one has a molecular weight of 355.46 g/mol, XLogP of 5.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is sourced from PubChem (CID 3702043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).