N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide

C23H23BrN2O3S — CID 126242030

IUPACN-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1)c1ccccc1
InChIInChI=1S/C23H23BrN2O3S/c1-17(19-7-3-2-4-8-19)26-30(28,29)20-14-11-18(12-15-20)13-16-23(27)25-22-10-6-5-9-21(22)24/h2-12,14-15,17,26H,13,16H2,1H3,(H,25,27)/t17-/m0/s1
InChIKeyCLNYZSGMWPNDRO-KRWDZBQOSA-N
MW487.42 g/mol
LogP5.06
Rot. Bonds8

About N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide

N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide (PubChem CID 126242030) has the molecular formula C23H23BrN2O3S and a molecular weight of 487.42 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
PubChem CID126242030
Molecular FormulaC23H23BrN2O3S
Molecular Weight487.42 g/mol
Exact Mass486.06
IUPAC NameN-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1)c1ccccc1
InChIInChI=1S/C23H23BrN2O3S/c1-17(19-7-3-2-4-8-19)26-30(28,29)20-14-11-18(12-15-20)13-16-23(27)25-22-10-6-5-9-21(22)24/h2-12,14-15,17,26H,13,16H2,1H3,(H,25,27)/t17-/m0/s1
InChIKeyCLNYZSGMWPNDRO-KRWDZBQOSA-N
XLogP5.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.42
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
methyl 2-[3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]benzoate
CID 2211920
methyl 2-[3-[4-(1-phenylethylsulfamoyl)phenyl]propanoylamino]benzoate
CID 2957805
N-(2-ethoxyphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126234412
N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242074
N-(2-bromophenyl)-2-[4-(1-phenylethylsulfamoyl)phenoxy]acetamide
CID 2942339
N-(4-chloro-2-methylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126255485
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 133239103
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
N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 126267768

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide (CID 126242030) is N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide is C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1)c1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is CLNYZSGMWPNDRO-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23BrN2O3S/c1-17(19-7-3-2-4-8-19)26-30(28,29)20-14-11-18(12-15-20)13-16-23(27)25-22-10-6-5-9-21(22)24/h2-12,14-15,17,26H,13,16H2,1H3,(H,25,27)/t17-/m0/s1.
What are the key properties of N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 487.42 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 126242030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).