N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide

C20H20F2N4O3S — CID 142500015

IUPACN-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(-n2cc(CC(F)F)cn2)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H20F2N4O3S/c1-13-4-2-3-5-15(13)9-20(27)25-16-6-7-17(18(10-16)30(23,28)29)26-12-14(11-24-26)8-19(21)22/h2-7,10-12,19H,8-9H2,1H3,(H,25,27)(H2,23,28,29)
InChIKeyQVLFBHHGGFVYBS-UHFFFAOYSA-N
MW434.47 g/mol
LogP2.82
Rot. Bonds7

About N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide

N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide (PubChem CID 142500015) has the molecular formula C20H20F2N4O3S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide
PubChem CID142500015
Molecular FormulaC20H20F2N4O3S
Molecular Weight434.47 g/mol
Exact Mass434.12
IUPAC NameN-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1ccc(-n2cc(CC(F)F)cn2)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H20F2N4O3S/c1-13-4-2-3-5-15(13)9-20(27)25-16-6-7-17(18(10-16)30(23,28)29)26-12-14(11-24-26)8-19(21)22/h2-7,10-12,19H,8-9H2,1H3,(H,25,27)(H2,23,28,29)
InChIKeyQVLFBHHGGFVYBS-UHFFFAOYSA-N
XLogP2.82
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-[3-sulfamoyl-4-[4-(1,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
CID 175573072
2-[4-(aminomethyl)phenyl]-N-[4-(4-fluoropyrazol-1-yl)-3-sulfamoylphenyl]acetamide
CID 174942864
2-(3-chloro-4-pyridinyl)-N-[4-(4-cyanopyrazol-1-yl)-3-sulfamoylphenyl]acetamide;N-[4-(4-cyanopyrazol-1-yl)-3-sulfamoylphenyl]-2-[4-(difluoromethyl)phenyl]acetamide
CID 161261892
N-[4-(4-fluoropyrazol-1-yl)-3-sulfamoylphenyl]acetamide
CID 151538876
N-[4-[4-(3,3-difluoropropyl)pyrazol-1-yl]-3-[(2,4-dimethoxyphenyl)methylsulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 158743261
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 36677114
2-(2-chlorophenyl)-N-[4-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)-3-sulfamoylphenyl]acetamide
CID 142472468
2-(2-chlorophenyl)-N-[4-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-3-sulfamoylphenyl]acetamide
CID 163830202
2-(4-acetamidophenyl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 18277249
2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
CID 155063475
5-[[2-(2-bromophenyl)acetyl]amino]-2-(4-fluoropyrazol-1-yl)benzenesulfinic acid
CID 163968896
N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18159552

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide (CID 142500015) is N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1ccc(-n2cc(CC(F)F)cn2)c(S(N)(=O)=O)c1.
What is the InChIKey of N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide?
The InChIKey is QVLFBHHGGFVYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3S/c1-13-4-2-3-5-15(13)9-20(27)25-16-6-7-17(18(10-16)30(23,28)29)26-12-14(11-24-26)8-19(21)22/h2-7,10-12,19H,8-9H2,1H3,(H,25,27)(H2,23,28,29).
What are the key properties of N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide?
N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide has a molecular weight of 434.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,2-difluoroethyl)pyrazol-1-yl]-3-sulfamoylphenyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 142500015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).