3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide

C25H37N3O4S — CID 58033530

IUPAC3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide
SMILESCCCCN(CCCC)c1cc(C(=O)N(C)CCC)cc(S(N)(=O)=O)c1Oc1ccccc1
InChIInChI=1S/C25H37N3O4S/c1-5-8-16-28(17-9-6-2)22-18-20(25(29)27(4)15-7-3)19-23(33(26,30)31)24(22)32-21-13-11-10-12-14-21/h10-14,18-19H,5-9,15-17H2,1-4H3,(H2,26,30,31)
InChIKeyGHKZLGONXLEIIL-UHFFFAOYSA-N
MW475.66 g/mol
LogP5.01
Rot. Bonds13

About 3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide

3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide (PubChem CID 58033530) has the molecular formula C25H37N3O4S and a molecular weight of 475.66 g/mol. Its IUPAC name is 3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide
PubChem CID58033530
Molecular FormulaC25H37N3O4S
Molecular Weight475.66 g/mol
Exact Mass475.25
IUPAC Name3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide
SMILESCCCCN(CCCC)c1cc(C(=O)N(C)CCC)cc(S(N)(=O)=O)c1Oc1ccccc1
InChIInChI=1S/C25H37N3O4S/c1-5-8-16-28(17-9-6-2)22-18-20(25(29)27(4)15-7-3)19-23(33(26,30)31)24(22)32-21-13-11-10-12-14-21/h10-14,18-19H,5-9,15-17H2,1-4H3,(H2,26,30,31)
InChIKeyGHKZLGONXLEIIL-UHFFFAOYSA-N
XLogP5.01
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.66
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide
CID 123206470
[2-(dimethylamino)-2-oxoethyl] 3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzoate
CID 58033513
propanoyloxymethyl 3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzoate
CID 58033689
N-(cycloheptylmethyl)-3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzamide
CID 58033638
3-(dibutylamino)-5-(dipropylsulfamoyl)-4-phenoxybenzoic acid
CID 58033514
3-[bis(1,1-dideuteriobutyl)amino]-4-phenoxy-5-sulfamoylbenzoic acid
CID 71618345
3-(dibutylamino)-5-methylsulfonyl-4-phenoxybenzoic acid
CID 58033539
3-(dibutylamino)-4-[3-[2-(dimethylamino)ethoxy]phenoxy]-5-sulfamoylbenzoic acid
CID 123675315
3-(dibutylamino)-4-phenoxy-N-(2-pyridin-2-ylethyl)-5-sulfamoylbenzamide
CID 129252570
3-(dibutylamino)-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide
CID 90988080
3-(dibutylamino)-4-phenoxy-N-(piperidin-3-ylmethyl)-5-sulfamoylbenzamide
CID 91049156
3-(dibutylamino)-5-(ethylsulfamoyl)-4-phenoxybenzoic acid
CID 58033368

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide?
The IUPAC name of 3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide (CID 58033530) is 3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide.
What is the SMILES notation for 3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide?
The canonical SMILES for 3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide is CCCCN(CCCC)c1cc(C(=O)N(C)CCC)cc(S(N)(=O)=O)c1Oc1ccccc1.
What is the InChIKey of 3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide?
The InChIKey is GHKZLGONXLEIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4S/c1-5-8-16-28(17-9-6-2)22-18-20(25(29)27(4)15-7-3)19-23(33(26,30)31)24(22)32-21-13-11-10-12-14-21/h10-14,18-19H,5-9,15-17H2,1-4H3,(H2,26,30,31).
What are the key properties of 3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide?
3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide has a molecular weight of 475.66 g/mol, XLogP of 5.01, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide is sourced from PubChem (CID 58033530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).