3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide

C21H27BrN2O3S — CID 50740399

IUPAC3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C21H27BrN2O3S/c1-3-14-24(15-4-2)21(25)16-20(17-8-6-5-7-9-17)23-28(26,27)19-12-10-18(22)11-13-19/h5-13,20,23H,3-4,14-16H2,1-2H3
InChIKeyFGIHJIQWWBMCLJ-UHFFFAOYSA-N
MW467.43 g/mol
LogP4.51
Rot. Bonds10

About 3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide

3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide (PubChem CID 50740399) has the molecular formula C21H27BrN2O3S and a molecular weight of 467.43 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide
PubChem CID50740399
Molecular FormulaC21H27BrN2O3S
Molecular Weight467.43 g/mol
Exact Mass466.09
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C21H27BrN2O3S/c1-3-14-24(15-4-2)21(25)16-20(17-8-6-5-7-9-17)23-28(26,27)19-12-10-18(22)11-13-19/h5-13,20,23H,3-4,14-16H2,1-2H3
InChIKeyFGIHJIQWWBMCLJ-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 50739470
3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 50740454
2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide
CID 50740584
3-[(4-bromophenyl)sulfonylamino]-N-(4-nitrophenyl)-3-phenylpropanamide
CID 50740445
(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate
CID 6972924
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 43007201
ethyl 5-[(4-methylphenyl)sulfonylamino]-3-oxo-5-phenylpentanoate
CID 102079264
N-[(1S)-4-chloro-3-oxo-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 134499747
4-bromo-N-[(2S,3R)-1-hydroxy-3-phenylpentan-2-yl]benzenesulfonamide
CID 10046401
3-(benzenesulfonamido)-3-(4-ethoxyphenyl)propanoic acid
CID 3674305
N-butyl-3-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 5124030
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide (CID 50740399) is 3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide?
The InChIKey is FGIHJIQWWBMCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O3S/c1-3-14-24(15-4-2)21(25)16-20(17-8-6-5-7-9-17)23-28(26,27)19-12-10-18(22)11-13-19/h5-13,20,23H,3-4,14-16H2,1-2H3.
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide?
3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide has a molecular weight of 467.43 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide is sourced from PubChem (CID 50740399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).