4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide

C19H27F3N2O4S — CID 162401653

IUPAC4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(CC(F)(F)F)C(=O)C(C)C)cc1
InChIInChI=1S/C19H27F3N2O4S/c1-5-11-23(12-6-2)29(27,28)16-9-7-15(8-10-16)18(26)24(13-19(20,21)22)17(25)14(3)4/h7-10,14H,5-6,11-13H2,1-4H3
InChIKeySMGWGBTXGDCWFT-UHFFFAOYSA-N
MW436.50 g/mol
LogP3.68
Rot. Bonds9

About 4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide

4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 162401653) has the molecular formula C19H27F3N2O4S and a molecular weight of 436.50 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID162401653
Molecular FormulaC19H27F3N2O4S
Molecular Weight436.50 g/mol
Exact Mass436.16
IUPAC Name4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(CC(F)(F)F)C(=O)C(C)C)cc1
InChIInChI=1S/C19H27F3N2O4S/c1-5-11-23(12-6-2)29(27,28)16-9-7-15(8-10-16)18(26)24(13-19(20,21)22)17(25)14(3)4/h7-10,14H,5-6,11-13H2,1-4H3
InChIKeySMGWGBTXGDCWFT-UHFFFAOYSA-N
XLogP3.68
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide
CID 51098722
N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
CID 119581442
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531024
6-[[4-(dipropylsulfamoyl)benzoyl]-methylamino]hexanoic acid
CID 166922498
N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
benzaldehyde;4-(dipropylsulfamoyl)benzoic acid
CID 146382115
N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 71107488
4-(dipropylsulfamoyl)benzoic acid;styrene
CID 70464418
4-(dipropylsulfamoyl)-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 43948656
N-[(2S)-1,6-diamino-1-oxohexan-2-yl]-4-(dipropylsulfamoyl)benzamide;2,2,2-trifluoroacetic acid
CID 122185774
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 162401653) is 4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(CC(F)(F)F)C(=O)C(C)C)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is SMGWGBTXGDCWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O4S/c1-5-11-23(12-6-2)29(27,28)16-9-7-15(8-10-16)18(26)24(13-19(20,21)22)17(25)14(3)4/h7-10,14H,5-6,11-13H2,1-4H3.
What are the key properties of 4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide?
4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 436.50 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 162401653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).