3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide

C29H38N4O4S — CID 123206470

IUPAC3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide
SMILESCCCCN(CCCC)c1cc(C(=O)N(C)CCc2cccnc2)cc(S(N)(=O)=O)c1Oc1ccccc1
InChIInChI=1S/C29H38N4O4S/c1-4-6-17-33(18-7-5-2)26-20-24(29(34)32(3)19-15-23-12-11-16-31-22-23)21-27(38(30,35)36)28(26)37-25-13-9-8-10-14-25/h8-14,16,20-22H,4-7,15,17-19H2,1-3H3,(H2,30,35,36)
InChIKeyVFAUGUWENVTKOR-UHFFFAOYSA-N
MW538.71 g/mol
LogP5.24
Rot. Bonds14

About 3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide

3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide (PubChem CID 123206470) has the molecular formula C29H38N4O4S and a molecular weight of 538.71 g/mol. Its IUPAC name is 3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide
PubChem CID123206470
Molecular FormulaC29H38N4O4S
Molecular Weight538.71 g/mol
Exact Mass538.26
IUPAC Name3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide
SMILESCCCCN(CCCC)c1cc(C(=O)N(C)CCc2cccnc2)cc(S(N)(=O)=O)c1Oc1ccccc1
InChIInChI=1S/C29H38N4O4S/c1-4-6-17-33(18-7-5-2)26-20-24(29(34)32(3)19-15-23-12-11-16-31-22-23)21-27(38(30,35)36)28(26)37-25-13-9-8-10-14-25/h8-14,16,20-22H,4-7,15,17-19H2,1-3H3,(H2,30,35,36)
InChIKeyVFAUGUWENVTKOR-UHFFFAOYSA-N
XLogP5.24
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.71
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dibutylamino)-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide
CID 90988080
3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide
CID 58033530
[2-(dimethylamino)-2-oxoethyl] 3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzoate
CID 58033513
3-(dibutylamino)-4-phenoxy-N-(2-pyridin-2-ylethyl)-5-sulfamoylbenzamide
CID 129252570
propanoyloxymethyl 3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzoate
CID 58033689
N-(cycloheptylmethyl)-3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzamide
CID 58033638
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)-5-(dipropylsulfamoyl)-4-phenoxybenzoic acid
CID 58033514
3-(dibutylamino)-4-phenoxy-N-(piperidin-3-ylmethyl)-5-sulfamoylbenzamide
CID 91049156
3-(dibutylamino)-2-phenoxy-5-(2H-tetrazol-5-yl)benzenesulfonamide
CID 58033654

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide?
The IUPAC name of 3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide (CID 123206470) is 3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide is CCCCN(CCCC)c1cc(C(=O)N(C)CCc2cccnc2)cc(S(N)(=O)=O)c1Oc1ccccc1.
What is the InChIKey of 3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide?
The InChIKey is VFAUGUWENVTKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O4S/c1-4-6-17-33(18-7-5-2)26-20-24(29(34)32(3)19-15-23-12-11-16-31-22-23)21-27(38(30,35)36)28(26)37-25-13-9-8-10-14-25/h8-14,16,20-22H,4-7,15,17-19H2,1-3H3,(H2,30,35,36).
What are the key properties of 3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide?
3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide has a molecular weight of 538.71 g/mol, XLogP of 5.24, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 123206470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).