2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C22H25N5O4S2 — CID 20972590

IUPAC2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3nnc(-c4ccccc4C)s3)CC2)cc1
InChIInChI=1S/C22H25N5O4S2/c1-16-5-3-4-6-19(16)21-24-25-22(32-21)23-20(28)15-26-11-13-27(14-12-26)33(29,30)18-9-7-17(31-2)8-10-18/h3-10H,11-15H2,1-2H3,(H,23,25,28)
InChIKeyVDMDHAKQOLQGTF-UHFFFAOYSA-N
MW487.61 g/mol
LogP2.47
Rot. Bonds7

About 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 20972590) has the molecular formula C22H25N5O4S2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID20972590
Molecular FormulaC22H25N5O4S2
Molecular Weight487.61 g/mol
Exact Mass487.13
IUPAC Name2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3nnc(-c4ccccc4C)s3)CC2)cc1
InChIInChI=1S/C22H25N5O4S2/c1-16-5-3-4-6-19(16)21-24-25-22(32-21)23-20(28)15-26-11-13-27(14-12-26)33(29,30)18-9-7-17(31-2)8-10-18/h3-10H,11-15H2,1-2H3,(H,23,25,28)
InChIKeyVDMDHAKQOLQGTF-UHFFFAOYSA-N
XLogP2.47
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 20972590) is 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3nnc(-c4ccccc4C)s3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is VDMDHAKQOLQGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S2/c1-16-5-3-4-6-19(16)21-24-25-22(32-21)23-20(28)15-26-11-13-27(14-12-26)33(29,30)18-9-7-17(31-2)8-10-18/h3-10H,11-15H2,1-2H3,(H,23,25,28).
What are the key properties of 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 487.61 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 20972590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).