2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide

C21H20F6N2O4S — CID 122622704

IUPAC2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H20F6N2O4S/c1-12-10-15(6-9-17(12)19(31,20(22,23)24)21(25,26)27)28-18(30)11-13-2-7-16(8-3-13)34(32,33)29-14-4-5-14/h2-3,6-10,14,29,31H,4-5,11H2,1H3,(H,28,30)
InChIKeyCYMNBGZTXMJURD-UHFFFAOYSA-N
MW510.46 g/mol
LogP3.93
Rot. Bonds7

About 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide

2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide (PubChem CID 122622704) has the molecular formula C21H20F6N2O4S and a molecular weight of 510.46 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
PubChem CID122622704
Molecular FormulaC21H20F6N2O4S
Molecular Weight510.46 g/mol
Exact Mass510.10
IUPAC Name2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C21H20F6N2O4S/c1-12-10-15(6-9-17(12)19(31,20(22,23)24)21(25,26)27)28-18(30)11-13-2-7-16(8-3-13)34(32,33)29-14-4-5-14/h2-3,6-10,14,29,31H,4-5,11H2,1H3,(H,28,30)
InChIKeyCYMNBGZTXMJURD-UHFFFAOYSA-N
XLogP3.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.46
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide with MolForge

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Related Compounds

2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide
CID 122622646
2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide
CID 122622703
2-[6-(cyclopropylmethyl-methylidene-oxo-λ6-sulfanyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
CID 160584888
2-[5-(cyclopropylmethyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
CID 157457567
2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
CID 162136993
N-[3-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122622702
N-[4-(cyclopropylsulfamoyl)phenyl]-2-[4-(difluoromethoxy)phenyl]acetamide
CID 34431227
N-[3-chloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(cyclopropylmethylsulfonyl)phenyl]acetamide
CID 122627317
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109452
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide (CID 122622704) is 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide is Cc1cc(NC(=O)Cc2ccc(S(=O)(=O)NC3CC3)cc2)ccc1C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide?
The InChIKey is CYMNBGZTXMJURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2O4S/c1-12-10-15(6-9-17(12)19(31,20(22,23)24)21(25,26)27)28-18(30)11-13-2-7-16(8-3-13)34(32,33)29-14-4-5-14/h2-3,6-10,14,29,31H,4-5,11H2,1H3,(H,28,30).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide?
2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide has a molecular weight of 510.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide is sourced from PubChem (CID 122622704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).