N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C20H20ClN3O3S — CID 71289968

IUPACN-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c(-c3cnn(C)c3)c2)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-3-28(26,27)17-7-4-14(5-8-17)10-20(25)23-16-6-9-19(21)18(11-16)15-12-22-24(2)13-15/h4-9,11-13H,3,10H2,1-2H3,(H,23,25)
InChIKeyMFWPALUSDAKWRL-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.72
Rot. Bonds6

About N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 71289968) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID71289968
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c(-c3cnn(C)c3)c2)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-3-28(26,27)17-7-4-14(5-8-17)10-20(25)23-16-6-9-19(21)18(11-16)15-12-22-24(2)13-15/h4-9,11-13H,3,10H2,1-2H3,(H,23,25)
InChIKeyMFWPALUSDAKWRL-UHFFFAOYSA-N
XLogP3.72
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285892
N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71284005
2-(4-ethylsulfonylphenyl)-N-[6-[2-methyl-2-(1-methylpyrazol-4-yl)propanoyl]-3-pyridinyl]acetamide
CID 170314500
2-(4-ethylsulfonylphenyl)-N-[4-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)phenyl]acetamide
CID 71289984
N-[3-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122622702
N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285888
2-(4-ethylsulfonyl-5-methylcyclohexa-1,3-dien-1-yl)-N-[3-(1-methylpyrazol-4-yl)-4-(trifluoromethoxy)phenyl]acetamide
CID 123258901
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 171706171
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-4-yl)acetamide
CID 32604191
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139582
N-[4-(2-butoxyphenyl)-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289987

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 71289968) is N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Cl)c(-c3cnn(C)c3)c2)cc1.
What is the InChIKey of N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is MFWPALUSDAKWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-3-28(26,27)17-7-4-14(5-8-17)10-20(25)23-16-6-9-19(21)18(11-16)15-12-22-24(2)13-15/h4-9,11-13H,3,10H2,1-2H3,(H,23,25).
What are the key properties of N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 417.92 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 71289968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).