N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide

C19H23BrN2O3S — CID 43007201

IUPACN-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-2-14-22(15-16-6-4-3-5-7-16)19(23)12-13-21-26(24,25)18-10-8-17(20)9-11-18/h3-11,21H,2,12-15H2,1H3
InChIKeyLOWPGOAYLYPEDC-UHFFFAOYSA-N
MW439.38 g/mol
LogP3.56
Rot. Bonds9

About N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide

N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 43007201) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
PubChem CID43007201
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC NameN-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-2-14-22(15-16-6-4-3-5-7-16)19(23)12-13-21-26(24,25)18-10-8-17(20)9-11-18/h3-11,21H,2,12-15H2,1H3
InChIKeyLOWPGOAYLYPEDC-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 52572597
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057237
N-benzyl-N-propyl-4-(prop-2-ynylsulfamoyl)benzamide
CID 31741575
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
CID 113052454
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide
CID 50740399
N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192886
3-(benzenesulfonamido)-N-ethyl-N-phenylpropanamide
CID 17225869
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide
CID 55334609

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide (CID 43007201) is N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide is CCCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is LOWPGOAYLYPEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-2-14-22(15-16-6-4-3-5-7-16)19(23)12-13-21-26(24,25)18-10-8-17(20)9-11-18/h3-11,21H,2,12-15H2,1H3.
What are the key properties of N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide?
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 439.38 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 43007201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).