2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide

C14H18N4O3S2 — CID 8840935

IUPAC2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C14H18N4O3S2/c1-9-14(10(2)18(3)16-9)23(20,21)17-11-6-4-5-7-12(11)22-8-13(15)19/h4-7,17H,8H2,1-3H3,(H2,15,19)
InChIKeyIDXRXZGKNFFFDA-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide

2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 8840935) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide
PubChem CID8840935
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ccccc1SCC(N)=O
InChIInChI=1S/C14H18N4O3S2/c1-9-14(10(2)18(3)16-9)23(20,21)17-11-6-4-5-7-12(11)22-8-13(15)19/h4-7,17H,8H2,1-3H3,(H2,15,19)
InChIKeyIDXRXZGKNFFFDA-UHFFFAOYSA-N
XLogP1.42
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3,5-Trimethylpyrazol-4-yl)sulfanylaniline
CID 2302355
N-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfamoyl]phenyl}acetamide
CID 7762538
1-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-(2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 17015980
N-(4-(N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)sulfamoyl)phenyl)acetamide
CID 15943579
N1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-N2-(2-(methylthio)phenyl)oxalamide
CID 45585341
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3-(phenylsulfonyl)propanamide
CID 49678052
N-[2-[3,5-diethyl-4-[3-(methanesulfonamido)phenyl]sulfanylpyrazol-1-yl]ethyl]-2,2,2-trifluoroacetamide
CID 60012275
1,3,5-trimethyl-N-phenylpyrazole-4-sulfonamide
CID 4532039
1-Acetyl-4-(2'-acetamidophenylthio)-3,5-dimethylpyrazole
CID 14955954
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 8167884
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 8167978
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 8168072

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide (CID 8840935) is 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccccc1SCC(N)=O.
What is the InChIKey of 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is IDXRXZGKNFFFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-9-14(10(2)18(3)16-9)23(20,21)17-11-6-4-5-7-12(11)22-8-13(15)19/h4-7,17H,8H2,1-3H3,(H2,15,19).
What are the key properties of 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide?
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 354.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 8840935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).