(2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C20H25N3O6S3 — CID 2577950

IUPAC(2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H25N3O6S3/c1-16-4-5-17(31(25,26)23-10-12-29-13-11-23)15-18(16)20(24)21-6-8-22(9-7-21)32(27,28)19-3-2-14-30-19/h2-5,14-15H,6-13H2,1H3
InChIKeyKBIGYTWLMOFVIL-UHFFFAOYSA-N
MW499.64 g/mol
LogP1.22
Rot. Bonds5

About (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 2577950) has the molecular formula C20H25N3O6S3 and a molecular weight of 499.64 g/mol. Its IUPAC name is (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID2577950
Molecular FormulaC20H25N3O6S3
Molecular Weight499.64 g/mol
Exact Mass499.09
IUPAC Name(2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H25N3O6S3/c1-16-4-5-17(31(25,26)23-10-12-29-13-11-23)15-18(16)20(24)21-6-8-22(9-7-21)32(27,28)19-3-2-14-30-19/h2-5,14-15H,6-13H2,1H3
InChIKeyKBIGYTWLMOFVIL-UHFFFAOYSA-N
XLogP1.22
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
[2-Methyl-5-(morpholine-4-sulfonyl)-phenyl]-pyrrolidin-1-yl-methanone
CID 6459647
Phenyl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2524719
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 2161272
4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2525856
(3-Morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2542470
N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 2561079
[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2648555
2-Methylphenyl 4-(2-thienylsulfonyl)piperazinyl ketone
CID 4827279
CID 6603385
CID 6603385

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 2577950) is (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is KBIGYTWLMOFVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S3/c1-16-4-5-17(31(25,26)23-10-12-29-13-11-23)15-18(16)20(24)21-6-8-22(9-7-21)32(27,28)19-3-2-14-30-19/h2-5,14-15H,6-13H2,1H3.
What are the key properties of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 499.64 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-morpholin-4-ylsulfonylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 2577950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).