N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide

C20H25BrN2O3S — CID 28557137

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H25BrN2O3S/c1-3-14-22-27(25,26)19-11-4-16(5-12-19)6-13-20(24)23-15(2)17-7-9-18(21)10-8-17/h4-5,7-12,15,22H,3,6,13-14H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyNOACQPDVGDLXNM-OAHLLOKOSA-N
MW453.40 g/mol
LogP3.95
Rot. Bonds9

About N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide

N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide (PubChem CID 28557137) has the molecular formula C20H25BrN2O3S and a molecular weight of 453.40 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
PubChem CID28557137
Molecular FormulaC20H25BrN2O3S
Molecular Weight453.40 g/mol
Exact Mass452.08
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H25BrN2O3S/c1-3-14-22-27(25,26)19-11-4-16(5-12-19)6-13-20(24)23-15(2)17-7-9-18(21)10-8-17/h4-5,7-12,15,22H,3,6,13-14H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyNOACQPDVGDLXNM-OAHLLOKOSA-N
XLogP3.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 30402368
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
3-[(4-bromophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433081
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
N-[1-(3-bromophenyl)ethyl]-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 43873841
N-[1-(4-ethylphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51181244
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
CID 28557015
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28557055
N-[1-(3-bromophenyl)ethyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 43873824
N-[(1R)-1-(3-bromophenyl)ethyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 28556841

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide (CID 28557137) is N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide is CCCNS(=O)(=O)c1ccc(CCC(=O)N[C@H](C)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide?
The InChIKey is NOACQPDVGDLXNM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25BrN2O3S/c1-3-14-22-27(25,26)19-11-4-16(5-12-19)6-13-20(24)23-15(2)17-7-9-18(21)10-8-17/h4-5,7-12,15,22H,3,6,13-14H2,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide has a molecular weight of 453.40 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 28557137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).