methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate

C21H22F2N2O6S — CID 38201593

IUPACmethyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c(F)cc1F
InChIInChI=1S/C21H22F2N2O6S/c1-30-18-8-7-12(9-19(18)32(28,29)25-13-5-3-4-6-13)20(26)24-17-10-14(21(27)31-2)15(22)11-16(17)23/h7-11,13,25H,3-6H2,1-2H3,(H,24,26)
InChIKeyBKEFURMTEXFXDY-UHFFFAOYSA-N
MW468.48 g/mol
LogP3.23
Rot. Bonds7

About methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate

methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate (PubChem CID 38201593) has the molecular formula C21H22F2N2O6S and a molecular weight of 468.48 g/mol. Its IUPAC name is methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate.

Molecular Properties

Compound Namemethyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate
PubChem CID38201593
Molecular FormulaC21H22F2N2O6S
Molecular Weight468.48 g/mol
Exact Mass468.12
IUPAC Namemethyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c(F)cc1F
InChIInChI=1S/C21H22F2N2O6S/c1-30-18-8-7-12(9-19(18)32(28,29)25-13-5-3-4-6-13)20(26)24-17-10-14(21(27)31-2)15(22)11-16(17)23/h7-11,13,25H,3-6H2,1-2H3,(H,24,26)
InChIKeyBKEFURMTEXFXDY-UHFFFAOYSA-N
XLogP3.23
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate with MolForge

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Related Compounds

N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 29435478
N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
CID 100795505
3-(cyclopentylsulfamoyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46530018
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
CID 26102322
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-(cyclopentylsulfamoyl)-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 35031433
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 120569275

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate?
The IUPAC name of methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate (CID 38201593) is methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate.
What is the SMILES notation for methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate?
The canonical SMILES for methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate is COC(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)c(F)cc1F.
What is the InChIKey of methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate?
The InChIKey is BKEFURMTEXFXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O6S/c1-30-18-8-7-12(9-19(18)32(28,29)25-13-5-3-4-6-13)20(26)24-17-10-14(21(27)31-2)15(22)11-16(17)23/h7-11,13,25H,3-6H2,1-2H3,(H,24,26).
What are the key properties of methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate?
methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate has a molecular weight of 468.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[3-(cyclopentylsulfamoyl)-4-methoxybenzoyl]amino]-2,4-difluorobenzoate is sourced from PubChem (CID 38201593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).