N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide

C22H21BrN2O3S — CID 4146495

IUPACN-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
SMILESO=C(NCc1ccccc1)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O3S/c23-19-11-13-20(14-12-19)29(27,28)25-21(15-17-7-3-1-4-8-17)22(26)24-16-18-9-5-2-6-10-18/h1-14,21,25H,15-16H2,(H,24,26)
InChIKeyMUJOCTWEKVUTFA-UHFFFAOYSA-N
MW473.39 g/mol
LogP3.66
Rot. Bonds8

About N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide

N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 4146495) has the molecular formula C22H21BrN2O3S and a molecular weight of 473.39 g/mol. Its IUPAC name is N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID4146495
Molecular FormulaC22H21BrN2O3S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC NameN-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
SMILESO=C(NCc1ccccc1)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O3S/c23-19-11-13-20(14-12-19)29(27,28)25-21(15-17-7-3-1-4-8-17)22(26)24-16-18-9-5-2-6-10-18/h1-14,21,25H,15-16H2,(H,24,26)
InChIKeyMUJOCTWEKVUTFA-UHFFFAOYSA-N
XLogP3.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide (CID 4146495) is N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide is O=C(NCc1ccccc1)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is MUJOCTWEKVUTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3S/c23-19-11-13-20(14-12-19)29(27,28)25-21(15-17-7-3-1-4-8-17)22(26)24-16-18-9-5-2-6-10-18/h1-14,21,25H,15-16H2,(H,24,26).
What are the key properties of N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide?
N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 473.39 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 4146495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).