3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide

C20H25BrN2O4S — CID 17480974

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide
SMILESCCCCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H25BrN2O4S/c1-4-6-13-23(5-2)20(24)15-7-12-18(27-3)19(14-15)28(25,26)22-17-10-8-16(21)9-11-17/h7-12,14,22H,4-6,13H2,1-3H3
InChIKeyGQBPWKMFYKUDJB-UHFFFAOYSA-N
MW469.40 g/mol
LogP4.52
Rot. Bonds9

About 3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide

3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide (PubChem CID 17480974) has the molecular formula C20H25BrN2O4S and a molecular weight of 469.40 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide
PubChem CID17480974
Molecular FormulaC20H25BrN2O4S
Molecular Weight469.40 g/mol
Exact Mass468.07
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide
SMILESCCCCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H25BrN2O4S/c1-4-6-13-23(5-2)20(24)15-7-12-18(27-3)19(14-15)28(25,26)22-17-10-8-16(21)9-11-17/h7-12,14,22H,4-6,13H2,1-3H3
InChIKeyGQBPWKMFYKUDJB-UHFFFAOYSA-N
XLogP4.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(tert-butylsulfamoyl)-N-ethyl-4-methoxybenzamide
CID 51166061
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
3-bromo-N-butyl-N-ethyl-4-methoxybenzamide
CID 60667723
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
N,N-diethyl-4-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 4786362
N,N-diethyl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373689
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
N-butyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 35825214
methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
CID 25342326
N,N-diethyl-3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzamide
CID 8519190

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide (CID 17480974) is 3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide is CCCCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide?
The InChIKey is GQBPWKMFYKUDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O4S/c1-4-6-13-23(5-2)20(24)15-7-12-18(27-3)19(14-15)28(25,26)22-17-10-8-16(21)9-11-17/h7-12,14,22H,4-6,13H2,1-3H3.
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide?
3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide has a molecular weight of 469.40 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-butyl-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 17480974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).