N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C16H21N5O4S2 — CID 18230942

IUPACN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ncn[nH]2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H21N5O4S2/c1-25-13-6-5-12(19-15(22)10-26-16-17-11-18-20-16)9-14(13)27(23,24)21-7-3-2-4-8-21/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,22)(H,17,18,20)
InChIKeyCYEHZICOYHTBEV-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.72
Rot. Bonds7

About N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 18230942) has the molecular formula C16H21N5O4S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID18230942
Molecular FormulaC16H21N5O4S2
Molecular Weight411.51 g/mol
Exact Mass411.10
IUPAC NameN-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2ncn[nH]2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H21N5O4S2/c1-25-13-6-5-12(19-15(22)10-26-16-17-11-18-20-16)9-14(13)27(23,24)21-7-3-2-4-8-21/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,22)(H,17,18,20)
InChIKeyCYEHZICOYHTBEV-UHFFFAOYSA-N
XLogP1.72
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide with MolForge

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Related Compounds

N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(3-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8706804
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
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27788804
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
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
2-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 5024016

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 18230942) is N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is COc1ccc(NC(=O)CSc2ncn[nH]2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is CYEHZICOYHTBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4S2/c1-25-13-6-5-12(19-15(22)10-26-16-17-11-18-20-16)9-14(13)27(23,24)21-7-3-2-4-8-21/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,22)(H,17,18,20).
What are the key properties of N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 411.51 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 18230942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).