(4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone

C18H16BrNO2S — CID 55868160

IUPAC(4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCSCC1
InChIInChI=1S/C18H16BrNO2S/c19-14-7-5-13(6-8-14)17(21)15-3-1-2-4-16(15)18(22)20-9-11-23-12-10-20/h1-8H,9-12H2
InChIKeySJGCQZQVEXUGTJ-UHFFFAOYSA-N
MW390.30 g/mol
LogP3.87
Rot. Bonds3

About (4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone

(4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone (PubChem CID 55868160) has the molecular formula C18H16BrNO2S and a molecular weight of 390.30 g/mol. Its IUPAC name is (4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone
PubChem CID55868160
Molecular FormulaC18H16BrNO2S
Molecular Weight390.30 g/mol
Exact Mass389.01
IUPAC Name(4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCSCC1
InChIInChI=1S/C18H16BrNO2S/c19-14-7-5-13(6-8-14)17(21)15-3-1-2-4-16(15)18(22)20-9-11-23-12-10-20/h1-8H,9-12H2
InChIKeySJGCQZQVEXUGTJ-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-benzoyl-1,4-diazepane-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 36616294
(4-bromophenyl)-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methanone
CID 78842568
2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 126776764
1-[2-(4-bromobenzoyl)benzoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 47020581
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
2-(1,4-thiazepane-4-carbonyl)benzoic acid
CID 61419510
2-[4-[2-(4-bromobenzoyl)benzoyl]piperazin-1-yl]-N-propylacetamide
CID 36918078
(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
CID 138999143
(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone
CID 168513754

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone?
The IUPAC name of (4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone (CID 55868160) is (4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone is O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCSCC1.
What is the InChIKey of (4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone?
The InChIKey is SJGCQZQVEXUGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2S/c19-14-7-5-13(6-8-14)17(21)15-3-1-2-4-16(15)18(22)20-9-11-23-12-10-20/h1-8H,9-12H2.
What are the key properties of (4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone?
(4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone has a molecular weight of 390.30 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-(thiomorpholine-4-carbonyl)phenyl]methanone is sourced from PubChem (CID 55868160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).