(4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone

C22H20ClNO4S2 — CID 56951813

IUPAC(4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone
SMILESCS(=O)(=O)c1ccc(-c2cc(C(=O)c3ccc(Cl)cc3)sc2N2CCOCC2)cc1
InChIInChI=1S/C22H20ClNO4S2/c1-30(26,27)18-8-4-15(5-9-18)19-14-20(21(25)16-2-6-17(23)7-3-16)29-22(19)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3
InChIKeySPTCMGLOJXTXSR-UHFFFAOYSA-N
MW461.99 g/mol
LogP4.54
Rot. Bonds5

About (4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone

(4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone (PubChem CID 56951813) has the molecular formula C22H20ClNO4S2 and a molecular weight of 461.99 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone
PubChem CID56951813
Molecular FormulaC22H20ClNO4S2
Molecular Weight461.99 g/mol
Exact Mass461.05
IUPAC Name(4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone
SMILESCS(=O)(=O)c1ccc(-c2cc(C(=O)c3ccc(Cl)cc3)sc2N2CCOCC2)cc1
InChIInChI=1S/C22H20ClNO4S2/c1-30(26,27)18-8-4-15(5-9-18)19-14-20(21(25)16-2-6-17(23)7-3-16)29-22(19)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3
InChIKeySPTCMGLOJXTXSR-UHFFFAOYSA-N
XLogP4.54
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.99
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone with MolForge

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Related Compounds

[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone
CID 69026448
(5-morpholin-4-yl-4-phenylthiophen-2-yl)-(4-nitrophenyl)methanone
CID 71518781
(5-morpholin-4-yl-4-pyridin-3-ylthiophen-2-yl)-phenylmethanone
CID 11842439
(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone
CID 1485941
1-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone
CID 23372680
(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24667301
4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine
CID 20888694
azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398
N-(2-methyl-3-nitrophenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26737790
N-[4-(ethylcarbamoyl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55753857
[5-(4-bromobenzoyl)-4-(4-chlorophenyl)thiophen-2-yl]-(4-bromophenyl)methanone
CID 71573568

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone (CID 56951813) is (4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone is CS(=O)(=O)c1ccc(-c2cc(C(=O)c3ccc(Cl)cc3)sc2N2CCOCC2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone?
The InChIKey is SPTCMGLOJXTXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO4S2/c1-30(26,27)18-8-4-15(5-9-18)19-14-20(21(25)16-2-6-17(23)7-3-16)29-22(19)24-10-12-28-13-11-24/h2-9,14H,10-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone?
(4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone has a molecular weight of 461.99 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]methanone is sourced from PubChem (CID 56951813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).