3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid

C18H26N2O7S — CID 66797539

IUPAC3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid
SMILESCCCN(CCC)C(=O)COC(=O)CCNS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C18H26N2O7S/c1-3-10-20(11-4-2)16(21)13-27-17(22)8-9-19-28(25,26)15-7-5-6-14(12-15)18(23)24/h5-7,12,19H,3-4,8-11,13H2,1-2H3,(H,23,24)
InChIKeyZTEJVXPWQMYTDA-UHFFFAOYSA-N
MW414.48 g/mol
LogP1.25
Rot. Bonds12

About 3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid

3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid (PubChem CID 66797539) has the molecular formula C18H26N2O7S and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid
PubChem CID66797539
Molecular FormulaC18H26N2O7S
Molecular Weight414.48 g/mol
Exact Mass414.15
IUPAC Name3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid
SMILESCCCN(CCC)C(=O)COC(=O)CCNS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C18H26N2O7S/c1-3-10-20(11-4-2)16(21)13-27-17(22)8-9-19-28(25,26)15-7-5-6-14(12-15)18(23)24/h5-7,12,19H,3-4,8-11,13H2,1-2H3,(H,23,24)
InChIKeyZTEJVXPWQMYTDA-UHFFFAOYSA-N
XLogP1.25
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(propylsulfamoyl)benzoic acid
CID 2442822
[2-(tert-butylamino)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate
CID 8630943
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076
[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738869
3-(2-carbamoyloxyethylsulfamoyl)benzoic acid
CID 83202394
3-[2-[disulfanyl(methyl)amino]ethylsulfamoyl]benzoic acid
CID 174164600
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
3-[2-[4-(dimethylamino)phenyl]ethylsulfamoyl]benzoic acid
CID 110627132
3-[(3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 43093020
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
CID 62499277
3-[(3-propanoylphenyl)sulfonylamino]propanamide
CID 60873632
N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 38550193

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid?
The IUPAC name of 3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid (CID 66797539) is 3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid?
The canonical SMILES for 3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid is CCCN(CCC)C(=O)COC(=O)CCNS(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid?
The InChIKey is ZTEJVXPWQMYTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O7S/c1-3-10-20(11-4-2)16(21)13-27-17(22)8-9-19-28(25,26)15-7-5-6-14(12-15)18(23)24/h5-7,12,19H,3-4,8-11,13H2,1-2H3,(H,23,24).
What are the key properties of 3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid?
3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid has a molecular weight of 414.48 g/mol, XLogP of 1.25, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(dipropylamino)-2-oxoethoxy]-3-oxopropyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 66797539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).