propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate

C15H18Cl2N2O5S — CID 56543666

IUPACpropan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O5S/c1-8(2)24-14(20)7-18-15(21)10-5-13(12(17)6-11(10)16)25(22,23)19-9-3-4-9/h5-6,8-9,19H,3-4,7H2,1-2H3,(H,18,21)
InChIKeyNTNKFWONMAHIQB-UHFFFAOYSA-N
MW409.29 g/mol
LogP2.12
Rot. Bonds7

About propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate

propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate (PubChem CID 56543666) has the molecular formula C15H18Cl2N2O5S and a molecular weight of 409.29 g/mol. Its IUPAC name is propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
PubChem CID56543666
Molecular FormulaC15H18Cl2N2O5S
Molecular Weight409.29 g/mol
Exact Mass408.03
IUPAC Namepropan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O5S/c1-8(2)24-14(20)7-18-15(21)10-5-13(12(17)6-11(10)16)25(22,23)19-9-3-4-9/h5-6,8-9,19H,3-4,7H2,1-2H3,(H,18,21)
InChIKeyNTNKFWONMAHIQB-UHFFFAOYSA-N
XLogP2.12
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate (CID 56543666) is propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate is CC(C)OC(=O)CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is NTNKFWONMAHIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O5S/c1-8(2)24-14(20)7-18-15(21)10-5-13(12(17)6-11(10)16)25(22,23)19-9-3-4-9/h5-6,8-9,19H,3-4,7H2,1-2H3,(H,18,21).
What are the key properties of propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate?
propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 409.29 g/mol, XLogP of 2.12, 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-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 56543666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).