2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

C18H25N5O4S3 — CID 27987246

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCNc1nnc(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C18H25N5O4S3/c1-3-19-17-21-22-18(29-17)28-12-16(24)20-13-7-8-14(27-2)15(11-13)30(25,26)23-9-5-4-6-10-23/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyHUXCIZCOSPNNHP-UHFFFAOYSA-N
MW471.63 g/mol
LogP2.88
Rot. Bonds9

About 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 27987246) has the molecular formula C18H25N5O4S3 and a molecular weight of 471.63 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID27987246
Molecular FormulaC18H25N5O4S3
Molecular Weight471.63 g/mol
Exact Mass471.11
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCNc1nnc(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C18H25N5O4S3/c1-3-19-17-21-22-18(29-17)28-12-16(24)20-13-7-8-14(27-2)15(11-13)30(25,26)23-9-5-4-6-10-23/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyHUXCIZCOSPNNHP-UHFFFAOYSA-N
XLogP2.88
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27788804
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4033873
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 27881084
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 18230942
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrazol-1-ylacetamide
CID 39723835
cyclopentyl-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-dimethylazanium
CID 8875638
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4032809
2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119677476
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide (CID 27987246) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is CCNc1nnc(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is HUXCIZCOSPNNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S3/c1-3-19-17-21-22-18(29-17)28-12-16(24)20-13-7-8-14(27-2)15(11-13)30(25,26)23-9-5-4-6-10-23/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,21)(H,20,24).
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 471.63 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 27987246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).