11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

C22H15NOS — CID 2840397

IUPAC11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESO=C1C2=C(Nc3ccccc3SC2c2ccccc2)c2ccccc21
InChIInChI=1S/C22H15NOS/c24-21-16-11-5-4-10-15(16)20-19(21)22(14-8-2-1-3-9-14)25-18-13-7-6-12-17(18)23-20/h1-13,22-23H
InChIKeyVJIWWQYBJJTYSK-UHFFFAOYSA-N
MW341.44 g/mol
LogP5.55
Rot. Bonds1

About 11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (PubChem CID 2840397) has the molecular formula C22H15NOS and a molecular weight of 341.44 g/mol. Its IUPAC name is 11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.

Molecular Properties

Compound Name11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
PubChem CID2840397
Molecular FormulaC22H15NOS
Molecular Weight341.44 g/mol
Exact Mass341.09
IUPAC Name11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESO=C1C2=C(Nc3ccccc3SC2c2ccccc2)c2ccccc21
InChIInChI=1S/C22H15NOS/c24-21-16-11-5-4-10-15(16)20-19(21)22(14-8-2-1-3-9-14)25-18-13-7-6-12-17(18)23-20/h1-13,22-23H
InChIKeyVJIWWQYBJJTYSK-UHFFFAOYSA-N
XLogP5.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetylphenothiazine
CID 81131
Stk238931
CID 926198
C20H13Nos2
CID 2879007
6-(4-methylphenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
CID 3702043
Mls003107240
CID 308243
11-(4-Propan-2-ylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2911006
6-[4-(trifluoromethyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
CID 2946813
2-methyl-N-(2-phenylsulfanylphenyl)benzamide
CID 848412
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
CID 3716777
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

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The IUPAC name of 11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (CID 2840397) is 11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.
What is the SMILES notation for 11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The canonical SMILES for 11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is O=C1C2=C(Nc3ccccc3SC2c2ccccc2)c2ccccc21.
What is the InChIKey of 11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The InChIKey is VJIWWQYBJJTYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NOS/c24-21-16-11-5-4-10-15(16)20-19(21)22(14-8-2-1-3-9-14)25-18-13-7-6-12-17(18)23-20/h1-13,22-23H.
What are the key properties of 11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one has a molecular weight of 341.44 g/mol, XLogP of 5.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is sourced from PubChem (CID 2840397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).