N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide

C23H27BrN2O4S — CID 17188906

IUPACN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(C)C)cc1
InChIInChI=1S/C23H27BrN2O4S/c1-5-13-26(14-6-2)31(28,29)20-10-8-19(9-11-20)25-23(27)16-30-22-12-7-18(24)15-21(22)17(3)4/h5-12,15,17H,1-2,13-14,16H2,3-4H3,(H,25,27)
InChIKeyDMZTYUAIDCJFFE-UHFFFAOYSA-N
MW507.45 g/mol
LogP4.95
Rot. Bonds11

About N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide (PubChem CID 17188906) has the molecular formula C23H27BrN2O4S and a molecular weight of 507.45 g/mol. Its IUPAC name is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
PubChem CID17188906
Molecular FormulaC23H27BrN2O4S
Molecular Weight507.45 g/mol
Exact Mass506.09
IUPAC NameN-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(C)C)cc1
InChIInChI=1S/C23H27BrN2O4S/c1-5-13-26(14-6-2)31(28,29)20-10-8-19(9-11-20)25-23(27)16-30-22-12-7-18(24)15-21(22)17(3)4/h5-12,15,17H,1-2,13-14,16H2,3-4H3,(H,25,27)
InChIKeyDMZTYUAIDCJFFE-UHFFFAOYSA-N
XLogP4.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 17188894
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17188963
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-5-bromo-2-butoxybenzamide
CID 17350017
N-[4-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-4-tert-butylbenzamide
CID 17235130
ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097504
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 4801402
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 3330697
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929865
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
CID 4777944
N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189024

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide (CID 17188906) is N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide is C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(C)C)cc1.
What is the InChIKey of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
The InChIKey is DMZTYUAIDCJFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O4S/c1-5-13-26(14-6-2)31(28,29)20-10-8-19(9-11-20)25-23(27)16-30-22-12-7-18(24)15-21(22)17(3)4/h5-12,15,17H,1-2,13-14,16H2,3-4H3,(H,25,27).
What are the key properties of N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide?
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide has a molecular weight of 507.45 g/mol, XLogP of 4.95, 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]-2-(4-bromo-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 17188906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).