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

C24H29N5O3S2 — CID 20972603

IUPACN-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(-c2nnc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)s2)cc1
InChIInChI=1S/C24H29N5O3S2/c1-17(2)19-8-10-21(11-9-19)34(31,32)29-14-12-28(13-15-29)16-22(30)25-24-27-26-23(33-24)20-6-4-18(3)5-7-20/h4-11,17H,12-16H2,1-3H3,(H,25,27,30)
InChIKeyAECWIDXPTSOGCL-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.58
Rot. Bonds7

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

N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 20972603) has the molecular formula C24H29N5O3S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID20972603
Molecular FormulaC24H29N5O3S2
Molecular Weight499.66 g/mol
Exact Mass499.17
IUPAC NameN-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(-c2nnc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)s2)cc1
InChIInChI=1S/C24H29N5O3S2/c1-17(2)19-8-10-21(11-9-19)34(31,32)29-14-12-28(13-15-29)16-22(30)25-24-27-26-23(33-24)20-6-4-18(3)5-7-20/h4-11,17H,12-16H2,1-3H3,(H,25,27,30)
InChIKeyAECWIDXPTSOGCL-UHFFFAOYSA-N
XLogP3.58
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 71902945
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 20972587
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100515994
N-(3-fluoro-4-methylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 4244458
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655486
N-(propan-2-ylcarbamoyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8796879
2-[methyl(methylsulfonyl)amino]-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 55606707
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 22197140
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22197212
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 2685661
N-(1-cyclopropylethyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55411673
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 20972603) is N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(-c2nnc(NC(=O)CN3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)s2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is AECWIDXPTSOGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S2/c1-17(2)19-8-10-21(11-9-19)34(31,32)29-14-12-28(13-15-29)16-22(30)25-24-27-26-23(33-24)20-6-4-18(3)5-7-20/h4-11,17H,12-16H2,1-3H3,(H,25,27,30).
What are the key properties of N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide?
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 499.66 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 20972603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).