3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide

C30H37N3O5S — CID 123481443

IUPAC3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide
SMILESCCCCN(CCCC)c1cc(C(=O)NCc2ccccc2)cc(S(=O)(=O)NC(C)=O)c1Oc1ccccc1
InChIInChI=1S/C30H37N3O5S/c1-4-6-18-33(19-7-5-2)27-20-25(30(35)31-22-24-14-10-8-11-15-24)21-28(39(36,37)32-23(3)34)29(27)38-26-16-12-9-13-17-26/h8-17,20-21H,4-7,18-19,22H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyPRHLMYFHFNQEPW-UHFFFAOYSA-N
MW551.71 g/mol
LogP5.64
Rot. Bonds14

About 3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide

3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide (PubChem CID 123481443) has the molecular formula C30H37N3O5S and a molecular weight of 551.71 g/mol. Its IUPAC name is 3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide.

Molecular Properties

Compound Name3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide
PubChem CID123481443
Molecular FormulaC30H37N3O5S
Molecular Weight551.71 g/mol
Exact Mass551.25
IUPAC Name3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide
SMILESCCCCN(CCCC)c1cc(C(=O)NCc2ccccc2)cc(S(=O)(=O)NC(C)=O)c1Oc1ccccc1
InChIInChI=1S/C30H37N3O5S/c1-4-6-18-33(19-7-5-2)27-20-25(30(35)31-22-24-14-10-8-11-15-24)21-28(39(36,37)32-23(3)34)29(27)38-26-16-12-9-13-17-26/h8-17,20-21H,4-7,18-19,22H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyPRHLMYFHFNQEPW-UHFFFAOYSA-N
XLogP5.64
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.71
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dibutylamino)-5-(ethylsulfamoyl)-4-phenoxybenzoic acid
CID 58033368
3-(dibutylamino)-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide
CID 90988080
3-(dibutylamino)-5-methylsulfonyl-4-phenoxybenzoic acid
CID 58033539
N-(cycloheptylmethyl)-3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzamide
CID 58033638
3-(dibutylamino)-4-phenoxy-N-(2-pyridin-2-ylethyl)-5-sulfamoylbenzamide
CID 129252570
3-(dibutylamino)-5-(dipropylsulfamoyl)-4-phenoxybenzoic acid
CID 58033514
3-(dibutylamino)-N-methyl-4-phenoxy-N-propyl-5-sulfamoylbenzamide
CID 58033530
3-(dibutylamino)-4-phenoxy-N-(piperidin-3-ylmethyl)-5-sulfamoylbenzamide
CID 91049156
3-(dibutylamino)-N-methyl-4-phenoxy-N-(2-pyridin-3-ylethyl)-5-sulfamoylbenzamide
CID 123206470
propanoyloxymethyl 3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzoate
CID 58033689
[2-(dimethylamino)-2-oxoethyl] 3-(dibutylamino)-4-phenoxy-5-sulfamoylbenzoate
CID 58033513
4-(4-chlorophenoxy)-3-(dibutylamino)-5-(dimethylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 71525692

Frequently Asked Questions

What is the IUPAC name of 3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide?
The IUPAC name of 3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide (CID 123481443) is 3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide.
What is the SMILES notation for 3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide?
The canonical SMILES for 3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide is CCCCN(CCCC)c1cc(C(=O)NCc2ccccc2)cc(S(=O)(=O)NC(C)=O)c1Oc1ccccc1.
What is the InChIKey of 3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide?
The InChIKey is PRHLMYFHFNQEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O5S/c1-4-6-18-33(19-7-5-2)27-20-25(30(35)31-22-24-14-10-8-11-15-24)21-28(39(36,37)32-23(3)34)29(27)38-26-16-12-9-13-17-26/h8-17,20-21H,4-7,18-19,22H2,1-3H3,(H,31,35)(H,32,34).
What are the key properties of 3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide?
3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide has a molecular weight of 551.71 g/mol, XLogP of 5.64, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acetylsulfamoyl)-N-benzyl-5-(dibutylamino)-4-phenoxybenzamide is sourced from PubChem (CID 123481443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).