N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide

C22H25BrN2O4S — CID 17342760

IUPACN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCC)c(Br)c2)cc1
InChIInChI=1S/C22H25BrN2O4S/c1-4-13-25(14-5-2)30(27,28)19-10-8-18(9-11-19)24-22(26)17-7-12-21(20(23)16-17)29-15-6-3/h4-5,7-12,16H,1-2,6,13-15H2,3H3,(H,24,26)
InChIKeyLQGCEFSIVQJNGW-UHFFFAOYSA-N
MW493.42 g/mol
LogP4.85
Rot. Bonds11

About N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide (PubChem CID 17342760) has the molecular formula C22H25BrN2O4S and a molecular weight of 493.42 g/mol. Its IUPAC name is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide.

Molecular Properties

Compound NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide
PubChem CID17342760
Molecular FormulaC22H25BrN2O4S
Molecular Weight493.42 g/mol
Exact Mass492.07
IUPAC NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCC)c(Br)c2)cc1
InChIInChI=1S/C22H25BrN2O4S/c1-4-13-25(14-5-2)30(27,28)19-10-8-18(9-11-19)24-22(26)17-7-12-21(20(23)16-17)29-15-6-3/h4-5,7-12,16H,1-2,6,13-15H2,3H3,(H,24,26)
InChIKeyLQGCEFSIVQJNGW-UHFFFAOYSA-N
XLogP4.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide 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

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356384
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-5-bromo-2-butoxybenzamide
CID 17350017
3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 17342762
3-bromo-N-(4-bromophenyl)-4-propoxybenzamide
CID 17342672
N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-5-bromo-2-propoxybenzamide
CID 17352062
N-(4-acetylphenyl)-3-bromo-4-propoxybenzamide
CID 17342671
3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 1011816
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-hexoxybenzamide
CID 4933660
3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17342662
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
3-bromo-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17343076
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
CID 17342731

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide?
The IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide (CID 17342760) is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide.
What is the SMILES notation for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide?
The canonical SMILES for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCCC)c(Br)c2)cc1.
What is the InChIKey of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide?
The InChIKey is LQGCEFSIVQJNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O4S/c1-4-13-25(14-5-2)30(27,28)19-10-8-18(9-11-19)24-22(26)17-7-12-21(20(23)16-17)29-15-6-3/h4-5,7-12,16H,1-2,6,13-15H2,3H3,(H,24,26).
What are the key properties of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide?
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide has a molecular weight of 493.42 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-3-bromo-4-propoxybenzamide is sourced from PubChem (CID 17342760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).