2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide

C25H21ClF2N2O5S — CID 58962489

IUPAC2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)NC2CC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C25H21ClF2N2O5S/c1-14-8-20(36(33,34)30-19-3-4-19)5-6-22(14)29-24(31)13-35-23-7-2-16(26)11-21(23)25(32)15-9-17(27)12-18(28)10-15/h2,5-12,19,30H,3-4,13H2,1H3,(H,29,31)
InChIKeyIZHVOVWHASGDDE-UHFFFAOYSA-N
MW534.97 g/mol
LogP4.62
Rot. Bonds9

About 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide

2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 58962489) has the molecular formula C25H21ClF2N2O5S and a molecular weight of 534.97 g/mol. Its IUPAC name is 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID58962489
Molecular FormulaC25H21ClF2N2O5S
Molecular Weight534.97 g/mol
Exact Mass534.08
IUPAC Name2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)NC2CC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C25H21ClF2N2O5S/c1-14-8-20(36(33,34)30-19-3-4-19)5-6-22(14)29-24(31)13-35-23-7-2-16(26)11-21(23)25(32)15-9-17(27)12-18(28)10-15/h2,5-12,19,30H,3-4,13H2,1H3,(H,29,31)
InChIKeyIZHVOVWHASGDDE-UHFFFAOYSA-N
XLogP4.62
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.97
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[2-methyl-4-(pyridin-4-ylmethylsulfamoyl)phenyl]acetamide
CID 58962429
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[2-methyl-4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 11562925
2-[4-chloro-2-(3-chloro-5-isocyanobenzoyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 23596816
N-[4-[[2-[4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]acetyl]amino]-3-methylphenyl]sulfonyl-2-methylpropanamide
CID 10303876
N-[4-[[2-[4-chloro-2-(3-cyano-5-methylbenzoyl)phenoxy]acetyl]amino]-3-methylphenyl]sulfonyl-3-piperidin-1-ylpropanamide
CID 142167331
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 3657367
N-(5-chloro-2-methylphenyl)-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45374125
(1E)-N-[4-[[2-[4-chloro-2-[3-cyano-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-3-methylphenyl]sulfonyl-2-methylpropanimidate
CID 23596848
2-[4-chloro-2-(1,3-thiazole-2-carbonyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 23149112
N-(5-chloro-2-methylphenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1005925
N-[4-(acetylsulfamoyl)-2-methylphenyl]-2-[4-chloro-2-(3-chloro-2-cyanobenzoyl)phenoxy]acetamide
CID 91405841
2-[4-chloro-2-[4-isocyano-2-(trifluoromethyl)benzoyl]phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 58962683

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide (CID 58962489) is 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide is Cc1cc(S(=O)(=O)NC2CC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is IZHVOVWHASGDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N2O5S/c1-14-8-20(36(33,34)30-19-3-4-19)5-6-22(14)29-24(31)13-35-23-7-2-16(26)11-21(23)25(32)15-9-17(27)12-18(28)10-15/h2,5-12,19,30H,3-4,13H2,1H3,(H,29,31).
What are the key properties of 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide?
2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 534.97 g/mol, XLogP of 4.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(3,5-difluorobenzoyl)phenoxy]-N-[4-(cyclopropylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 58962489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).