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

C17H23N5O4S3 — CID 27788804

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCNc1nnc(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C17H23N5O4S3/c1-18-16-20-21-17(28-16)27-11-15(23)19-12-6-7-13(26-2)14(10-12)29(24,25)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyOUNWIAWQMKTBPN-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.49
Rot. Bonds8

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

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (PubChem CID 27788804) has the molecular formula C17H23N5O4S3 and a molecular weight of 457.60 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
PubChem CID27788804
Molecular FormulaC17H23N5O4S3
Molecular Weight457.60 g/mol
Exact Mass457.09
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
SMILESCNc1nnc(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C17H23N5O4S3/c1-18-16-20-21-17(28-16)27-11-15(23)19-12-6-7-13(26-2)14(10-12)29(24,25)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyOUNWIAWQMKTBPN-UHFFFAOYSA-N
XLogP2.49
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 27987246
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)-2-(methylamino)acetamide
CID 119677452
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
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 27788677
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-(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
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide (CID 27788804) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is CNc1nnc(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)s1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is OUNWIAWQMKTBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S3/c1-18-16-20-21-17(28-16)27-11-15(23)19-12-6-7-13(26-2)14(10-12)29(24,25)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,20)(H,19,23).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 457.60 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27788804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).