methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate

C17H26N2O5S — CID 113155892

IUPACmethyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
SMILESCCCN(CCC)C(=O)CN(c1ccccc1C(=O)OC)S(C)(=O)=O
InChIInChI=1S/C17H26N2O5S/c1-5-11-18(12-6-2)16(20)13-19(25(4,22)23)15-10-8-7-9-14(15)17(21)24-3/h7-10H,5-6,11-13H2,1-4H3
InChIKeyBWVRGHSEWWNOIL-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.89
Rot. Bonds9

About methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate

methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate (PubChem CID 113155892) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
PubChem CID113155892
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Namemethyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
SMILESCCCN(CCC)C(=O)CN(c1ccccc1C(=O)OC)S(C)(=O)=O
InChIInChI=1S/C17H26N2O5S/c1-5-11-18(12-6-2)16(20)13-19(25(4,22)23)15-10-8-7-9-14(15)17(21)24-3/h7-10H,5-6,11-13H2,1-4H3
InChIKeyBWVRGHSEWWNOIL-UHFFFAOYSA-N
XLogP1.89
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methylsulfonyl-[2-oxo-2-(propylamino)ethyl]amino]benzoate
CID 113155847
methyl 2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155867
methyl 2-[2-acetamidoethyl(methylsulfonyl)amino]benzoate
CID 113071138
methyl 2-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoate
CID 45031055
methyl 2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155909
methyl 2-[[2-(2-cyanoanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155919
methyl 2-[(2-bromoacetyl)-propylamino]benzoate
CID 21480472
ethyl 2-[2-acetamidoethyl(methylsulfonyl)amino]benzoate
CID 113072126
ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate
CID 113157108
methyl 2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155917
methyl 2-[methylsulfonyl-[2-(phenylcarbamoylamino)ethyl]amino]benzoate
CID 113071161
methyl 3-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate
CID 2209012

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate?
The IUPAC name of methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate (CID 113155892) is methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate?
The canonical SMILES for methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate is CCCN(CCC)C(=O)CN(c1ccccc1C(=O)OC)S(C)(=O)=O.
What is the InChIKey of methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate?
The InChIKey is BWVRGHSEWWNOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-5-11-18(12-6-2)16(20)13-19(25(4,22)23)15-10-8-7-9-14(15)17(21)24-3/h7-10H,5-6,11-13H2,1-4H3.
What are the key properties of methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate?
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate has a molecular weight of 370.47 g/mol, XLogP of 1.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(dipropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate is sourced from PubChem (CID 113155892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).