2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide

C21H19F7N2O5S — CID 122622703

IUPAC2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide
SMILESCOc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(F)cc1NC(=O)Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H19F7N2O5S/c1-35-17-9-14(19(32,20(23,24)25)21(26,27)28)15(22)10-16(17)29-18(31)8-11-2-6-13(7-3-11)36(33,34)30-12-4-5-12/h2-3,6-7,9-10,12,30,32H,4-5,8H2,1H3,(H,29,31)
InChIKeyMHGXTNCXESGYQL-UHFFFAOYSA-N
MW544.45 g/mol
LogP3.77
Rot. Bonds8

About 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide

2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide (PubChem CID 122622703) has the molecular formula C21H19F7N2O5S and a molecular weight of 544.45 g/mol. Its IUPAC name is 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide
PubChem CID122622703
Molecular FormulaC21H19F7N2O5S
Molecular Weight544.45 g/mol
Exact Mass544.09
IUPAC Name2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide
SMILESCOc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(F)cc1NC(=O)Cc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C21H19F7N2O5S/c1-35-17-9-14(19(32,20(23,24)25)21(26,27)28)15(22)10-16(17)29-18(31)8-11-2-6-13(7-3-11)36(33,34)30-12-4-5-12/h2-3,6-7,9-10,12,30,32H,4-5,8H2,1H3,(H,29,31)
InChIKeyMHGXTNCXESGYQL-UHFFFAOYSA-N
XLogP3.77
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.45
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-[5-fluoro-2-methoxy-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide
CID 122627283
2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
CID 122622704
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-(cyclopropylmethylsulfonyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide
CID 122622762
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 33159236
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 30671122
4-(cyclopropylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32611210
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 92645790
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide?
The IUPAC name of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide (CID 122622703) is 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide is COc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(F)cc1NC(=O)Cc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide?
The InChIKey is MHGXTNCXESGYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F7N2O5S/c1-35-17-9-14(19(32,20(23,24)25)21(26,27)28)15(22)10-16(17)29-18(31)8-11-2-6-13(7-3-11)36(33,34)30-12-4-5-12/h2-3,6-7,9-10,12,30,32H,4-5,8H2,1H3,(H,29,31).
What are the key properties of 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide?
2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide has a molecular weight of 544.45 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 122622703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).