N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H23N5O4S2 — CID 16603344

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1n[nH]c(C)n1
InChIInChI=1S/C17H23N5O4S2/c1-12-18-17(21-20-12)27-11-16(23)19-14-10-13(6-7-15(14)26-2)28(24,25)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeySIDVOXJDNJLNQL-UHFFFAOYSA-N
MW425.54 g/mol
LogP2.03
Rot. Bonds7

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 16603344) has the molecular formula C17H23N5O4S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID16603344
Molecular FormulaC17H23N5O4S2
Molecular Weight425.54 g/mol
Exact Mass425.12
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1n[nH]c(C)n1
InChIInChI=1S/C17H23N5O4S2/c1-12-18-17(21-20-12)27-11-16(23)19-14-10-13(6-7-15(14)26-2)28(24,25)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,23)(H,18,20,21)
InChIKeySIDVOXJDNJLNQL-UHFFFAOYSA-N
XLogP2.03
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 16603344) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1n[nH]c(C)n1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is SIDVOXJDNJLNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S2/c1-12-18-17(21-20-12)27-11-16(23)19-14-10-13(6-7-15(14)26-2)28(24,25)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,23)(H,18,20,21).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 425.54 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 16603344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).