N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C15H19N5O4S2 — CID 4064862

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ncn[nH]2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H19N5O4S2/c1-11-2-3-12(18-14(21)9-25-15-16-10-17-19-15)8-13(11)26(22,23)20-4-6-24-7-5-20/h2-3,8,10H,4-7,9H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyUBFWECHKVMYQJF-UHFFFAOYSA-N
MW397.48 g/mol
LogP0.86
Rot. Bonds6

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

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 4064862) has the molecular formula C15H19N5O4S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID4064862
Molecular FormulaC15H19N5O4S2
Molecular Weight397.48 g/mol
Exact Mass397.09
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ncn[nH]2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C15H19N5O4S2/c1-11-2-3-12(18-14(21)9-25-15-16-10-17-19-15)8-13(11)26(22,23)20-4-6-24-7-5-20/h2-3,8,10H,4-7,9H2,1H3,(H,18,21)(H,16,17,19)
InChIKeyUBFWECHKVMYQJF-UHFFFAOYSA-N
XLogP0.86
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2336442
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 3876709
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4145244
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4399897
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 4604972
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16297823
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7785128
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16294090
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16298591
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3949258
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 4136422
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 4347607

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 4064862) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is Cc1ccc(NC(=O)CSc2ncn[nH]2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is UBFWECHKVMYQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S2/c1-11-2-3-12(18-14(21)9-25-15-16-10-17-19-15)8-13(11)26(22,23)20-4-6-24-7-5-20/h2-3,8,10H,4-7,9H2,1H3,(H,18,21)(H,16,17,19).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 4064862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).