N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H17N5O3S2 — CID 16587170

IUPACN-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C17H17N5O3S2/c1-12-7-8-13(9-15(12)27(18,24)25)20-16(23)10-26-17-19-11-22(21-17)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,23)(H2,18,24,25)
InChIKeyRLCHHRSOZNXOGB-UHFFFAOYSA-N
MW403.49 g/mol
LogP1.95
Rot. Bonds6

About N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 16587170) has the molecular formula C17H17N5O3S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID16587170
Molecular FormulaC17H17N5O3S2
Molecular Weight403.49 g/mol
Exact Mass403.08
IUPAC NameN-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1S(N)(=O)=O
InChIInChI=1S/C17H17N5O3S2/c1-12-7-8-13(9-15(12)27(18,24)25)20-16(23)10-26-17-19-11-22(21-17)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,23)(H2,18,24,25)
InChIKeyRLCHHRSOZNXOGB-UHFFFAOYSA-N
XLogP1.95
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

methyl 2-chloro-5-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 3315835
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CID 16587154
N-[4-(difluoromethoxy)phenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42294890
N-(4-bromo-2,3-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 126215604
N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064694
N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
CID 9141188
N-(3,5-dichloro-6-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42294902
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5074698
N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 51255621
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24591854
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 16587170) is N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1S(N)(=O)=O.
What is the InChIKey of N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is RLCHHRSOZNXOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S2/c1-12-7-8-13(9-15(12)27(18,24)25)20-16(23)10-26-17-19-11-22(21-17)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,23)(H2,18,24,25).
What are the key properties of N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-methyl-3-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 1.95, 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-sulfamoylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 16587170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).