propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate

C19H21FN2O5S — CID 56536507

IUPACpropan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC(=O)OC(C)C
InChIInChI=1S/C19H21FN2O5S/c1-12(2)27-18(23)11-21-19(24)17-10-16(9-4-13(17)3)28(25,26)22-15-7-5-14(20)6-8-15/h4-10,12,22H,11H2,1-3H3,(H,21,24)
InChIKeyCNDUGGGPLZENCY-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.62
Rot. Bonds7

About propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate

propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate (PubChem CID 56536507) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
PubChem CID56536507
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Namepropan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC(=O)OC(C)C
InChIInChI=1S/C19H21FN2O5S/c1-12(2)27-18(23)11-21-19(24)17-10-16(9-4-13(17)3)28(25,26)22-15-7-5-14(20)6-8-15/h4-10,12,22H,11H2,1-3H3,(H,21,24)
InChIKeyCNDUGGGPLZENCY-UHFFFAOYSA-N
XLogP2.62
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
propan-2-yl 2-[[2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoyl]amino]acetate
CID 56550990
propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56550971
propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
CID 56536549
propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate
CID 56551038
methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
CID 43004196
N-(4-ethoxyphenyl)-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26561579
5-[(4-fluorophenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 18170796
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010401
5-[(4-fluorophenyl)sulfamoyl]-N,N-bis(2-methoxyethyl)-2-methylbenzamide
CID 43010418

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate (CID 56536507) is propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate?
The InChIKey is CNDUGGGPLZENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-12(2)27-18(23)11-21-19(24)17-10-16(9-4-13(17)3)28(25,26)22-15-7-5-14(20)6-8-15/h4-10,12,22H,11H2,1-3H3,(H,21,24).
What are the key properties of propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate?
propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate has a molecular weight of 408.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate is sourced from PubChem (CID 56536507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).