N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide

C23H23N3O5S — CID 126244326

IUPACN-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1
InChIInChI=1S/C23H23N3O5S/c1-17(19-6-3-2-4-7-19)25-32(30,31)22-13-10-18(11-14-22)12-15-23(27)24-20-8-5-9-21(16-20)26(28)29/h2-11,13-14,16-17,25H,12,15H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyCHXMNKBHWQPPLH-QGZVFWFLSA-N
MW453.52 g/mol
LogP4.21
Rot. Bonds9

About N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide

N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (PubChem CID 126244326) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
PubChem CID126244326
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1
InChIInChI=1S/C23H23N3O5S/c1-17(19-6-3-2-4-7-19)25-32(30,31)22-13-10-18(11-14-22)12-15-23(27)24-20-8-5-9-21(16-20)26(28)29/h2-11,13-14,16-17,25H,12,15H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyCHXMNKBHWQPPLH-QGZVFWFLSA-N
XLogP4.21
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007033
N-(3-chlorophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126237934
N-(3-fluorophenyl)-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 2954630
N-naphthalen-1-yl-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126235471
N-[4-(cyanomethyl)phenyl]-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 100796380
methyl 5-[3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanoylamino]-1-benzothiophene-2-carboxylate
CID 28556868
N-(4-chloro-2-methylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126255485
N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
N-(2,4-dimethylphenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242074
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

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide (CID 126244326) is N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1.
What is the InChIKey of N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is CHXMNKBHWQPPLH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-17(19-6-3-2-4-7-19)25-32(30,31)22-13-10-18(11-14-22)12-15-23(27)24-20-8-5-9-21(16-20)26(28)29/h2-11,13-14,16-17,25H,12,15H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide?
N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 453.52 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 126244326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).