N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide

C15H20N4O3S — CID 6471033

IUPACN-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(N(C)C(C)=O)cc2)c1C
InChIInChI=1S/C15H20N4O3S/c1-5-19-11(2)15(10-16-19)23(21,22)17-13-6-8-14(9-7-13)18(4)12(3)20/h6-10,17H,5H2,1-4H3
InChIKeyOICPUBCEIVJNQO-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.99
Rot. Bonds5

About N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide

N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide (PubChem CID 6471033) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide
PubChem CID6471033
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccc(N(C)C(C)=O)cc2)c1C
InChIInChI=1S/C15H20N4O3S/c1-5-19-11(2)15(10-16-19)23(21,22)17-13-6-8-14(9-7-13)18(4)12(3)20/h6-10,17H,5H2,1-4H3
InChIKeyOICPUBCEIVJNQO-UHFFFAOYSA-N
XLogP1.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 6465265
2-(diethylamino)ethyl 4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 22204206
N-(3,4-difluorophenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22773468
N-(1,2-dimethylindol-5-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 46982035
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19684585
N-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 3837936
ethyl 3-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 6465250
1-ethyl-5-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19683642
1-ethyl-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazole-4-sulfonamide
CID 22202841
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 3819698
1-ethyl-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682093

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide (CID 6471033) is N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide is CCn1ncc(S(=O)(=O)Nc2ccc(N(C)C(C)=O)cc2)c1C.
What is the InChIKey of N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide?
The InChIKey is OICPUBCEIVJNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-5-19-11(2)15(10-16-19)23(21,22)17-13-6-8-14(9-7-13)18(4)12(3)20/h6-10,17H,5H2,1-4H3.
What are the key properties of N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide?
N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide has a molecular weight of 336.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 6471033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).