2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C21H27N3O6S3 — CID 24980722

IUPAC2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H27N3O6S3/c25-20(16-18-6-9-21(31-18)33(28,29)24-12-14-30-15-13-24)22-17-4-7-19(8-5-17)32(26,27)23-10-2-1-3-11-23/h4-9H,1-3,10-16H2,(H,22,25)
InChIKeySHMJMLFXPKFACF-UHFFFAOYSA-N
MW513.66 g/mol
LogP2.12
Rot. Bonds7

About 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 24980722) has the molecular formula C21H27N3O6S3 and a molecular weight of 513.66 g/mol. Its IUPAC name is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID24980722
Molecular FormulaC21H27N3O6S3
Molecular Weight513.66 g/mol
Exact Mass513.11
IUPAC Name2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H27N3O6S3/c25-20(16-18-6-9-21(31-18)33(28,29)24-12-14-30-15-13-24)22-17-4-7-19(8-5-17)32(26,27)23-10-2-1-3-11-23/h4-9H,1-3,10-16H2,(H,22,25)
InChIKeySHMJMLFXPKFACF-UHFFFAOYSA-N
XLogP2.12
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.66
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 24980722) is 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is SHMJMLFXPKFACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6S3/c25-20(16-18-6-9-21(31-18)33(28,29)24-12-14-30-15-13-24)22-17-4-7-19(8-5-17)32(26,27)23-10-2-1-3-11-23/h4-9H,1-3,10-16H2,(H,22,25).
What are the key properties of 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 513.66 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 24980722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).