N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide

C19H22BrN3O4S — CID 24544650

IUPACN-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCC(NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O4S/c1-13(14-7-9-16(20)10-8-14)22-18(24)12-21-19(25)15-5-4-6-17(11-15)28(26,27)23(2)3/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJDQOJKNYJBQYPH-UHFFFAOYSA-N
MW468.37 g/mol
LogP2.31
Rot. Bonds7

About N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide

N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 24544650) has the molecular formula C19H22BrN3O4S and a molecular weight of 468.37 g/mol. Its IUPAC name is N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID24544650
Molecular FormulaC19H22BrN3O4S
Molecular Weight468.37 g/mol
Exact Mass467.05
IUPAC NameN-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCC(NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1
InChIInChI=1S/C19H22BrN3O4S/c1-13(14-7-9-16(20)10-8-14)22-18(24)12-21-19(25)15-5-4-6-17(11-15)28(26,27)23(2)3/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJDQOJKNYJBQYPH-UHFFFAOYSA-N
XLogP2.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733491
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24635359
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
CID 8624124
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 55948510
3-bromo-N-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 24544523
N-[1-(3,4-dimethylphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 133231354
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55893509
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55350026

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide (CID 24544650) is N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide is CC(NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is JDQOJKNYJBQYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O4S/c1-13(14-7-9-16(20)10-8-14)22-18(24)12-21-19(25)15-5-4-6-17(11-15)28(26,27)23(2)3/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 468.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 24544650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).