N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide

C20H25BrN2O3S — CID 55778771

IUPACN-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC(C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C20H25BrN2O3S/c1-4-23(5-2)27(25,26)19-12-8-17(9-13-19)20(24)22-15(3)14-16-6-10-18(21)11-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyHEGLKUCFZIYPDQ-UHFFFAOYSA-N
MW453.40 g/mol
LogP3.84
Rot. Bonds8

About N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide

N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide (PubChem CID 55778771) has the molecular formula C20H25BrN2O3S and a molecular weight of 453.40 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide
PubChem CID55778771
Molecular FormulaC20H25BrN2O3S
Molecular Weight453.40 g/mol
Exact Mass452.08
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NC(C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C20H25BrN2O3S/c1-4-23(5-2)27(25,26)19-12-8-17(9-13-19)20(24)22-15(3)14-16-6-10-18(21)11-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)
InChIKeyHEGLKUCFZIYPDQ-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
CID 25044694
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide
CID 26423118
4-[[(4-bromophenyl)methyl-(4-bromophenyl)sulfonylamino]methyl]-N-oxidobenzamide
CID 46371368
4-(diethylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46680020
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
CID 17448990
4-bromo-N-[1-(furan-3-yl)propan-2-yl]benzamide
CID 121127042
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119367792
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide (CID 55778771) is N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NC(C)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide?
The InChIKey is HEGLKUCFZIYPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3S/c1-4-23(5-2)27(25,26)19-12-8-17(9-13-19)20(24)22-15(3)14-16-6-10-18(21)11-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide?
N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide has a molecular weight of 453.40 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 55778771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).