N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide

C17H22N4O3S — CID 42282836

IUPACN-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)c1
InChIInChI=1S/C17H22N4O3S/c1-12-17(11-21(19-12)16-8-3-4-9-16)25(23,24)20-15-7-5-6-14(10-15)18-13(2)22/h5-7,10-11,16,20H,3-4,8-9H2,1-2H3,(H,18,22)
InChIKeyDTKGFYJBHWVBRL-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.07
Rot. Bonds5

About N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide

N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide (PubChem CID 42282836) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
PubChem CID42282836
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)c1
InChIInChI=1S/C17H22N4O3S/c1-12-17(11-21(19-12)16-8-3-4-9-16)25(23,24)20-15-7-5-6-14(10-15)18-13(2)22/h5-7,10-11,16,20H,3-4,8-9H2,1-2H3,(H,18,22)
InChIKeyDTKGFYJBHWVBRL-UHFFFAOYSA-N
XLogP3.07
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
CID 42282842
N-[3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282551
N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
N-[3-[(1-benzyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42283121
ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282768
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282799
N-[3-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22202614
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-methylpyrazole-4-sulfonamide
CID 42282720
1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351136
3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
CID 42284183
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide (CID 42282836) is N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)c1.
What is the InChIKey of N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is DTKGFYJBHWVBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-17(11-21(19-12)16-8-3-4-9-16)25(23,24)20-15-7-5-6-14(10-15)18-13(2)22/h5-7,10-11,16,20H,3-4,8-9H2,1-2H3,(H,18,22).
What are the key properties of N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide?
N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 362.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 42282836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).