propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate

C19H21FN2O5S — CID 56551038

IUPACpropan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O5S/c1-13(2)27-19(24)12-21-18(23)11-14-3-7-16(8-4-14)22-28(25,26)17-9-5-15(20)6-10-17/h3-10,13,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyJXOKJOGFSUPRKC-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.24
Rot. Bonds8

About propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate

propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate (PubChem CID 56551038) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate
PubChem CID56551038
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Namepropan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O5S/c1-13(2)27-19(24)12-21-18(23)11-14-3-7-16(8-4-14)22-28(25,26)17-9-5-15(20)6-10-17/h3-10,13,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyJXOKJOGFSUPRKC-UHFFFAOYSA-N
XLogP2.24
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55868918
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 17472251
methyl 4-[[4-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]phenyl]sulfamoyl]benzoate
CID 55901947
2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]-N-propan-2-ylbenzamide
CID 34556664
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
(2-amino-2-oxoethyl) 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate
CID 7824604
propan-2-yl 2-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]acetate
CID 56536549

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate (CID 56551038) is propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate is CC(C)OC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate?
The InChIKey is JXOKJOGFSUPRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-13(2)27-19(24)12-21-18(23)11-14-3-7-16(8-4-14)22-28(25,26)17-9-5-15(20)6-10-17/h3-10,13,22H,11-12H2,1-2H3,(H,21,23).
What are the key properties of propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate?
propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate has a molecular weight of 408.45 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 56551038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).