(2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide

C24H25Cl2N3O3S — CID 58504877

IUPAC(2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H](CCc1ccccc1)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C24H25Cl2N3O3S/c1-29(16-18-10-6-3-7-11-18)24(30)22(13-12-17-8-4-2-5-9-17)28-33(31,32)19-14-20(25)23(27)21(26)15-19/h2-11,14-15,22,28H,12-13,16,27H2,1H3/t22-/m1/s1
InChIKeyBFTZOBITPYYKQZ-JOCHJYFZSA-N
MW506.46 g/mol
LogP4.51
Rot. Bonds9

About (2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide

(2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide (PubChem CID 58504877) has the molecular formula C24H25Cl2N3O3S and a molecular weight of 506.46 g/mol. Its IUPAC name is (2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide
PubChem CID58504877
Molecular FormulaC24H25Cl2N3O3S
Molecular Weight506.46 g/mol
Exact Mass505.10
IUPAC Name(2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H](CCc1ccccc1)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C24H25Cl2N3O3S/c1-29(16-18-10-6-3-7-11-18)24(30)22(13-12-17-8-4-2-5-9-17)28-33(31,32)19-14-20(25)23(27)21(26)15-19/h2-11,14-15,22,28H,12-13,16,27H2,1H3/t22-/m1/s1
InChIKeyBFTZOBITPYYKQZ-JOCHJYFZSA-N
XLogP4.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.46
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide?
The IUPAC name of (2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide (CID 58504877) is (2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide.
What is the SMILES notation for (2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide?
The canonical SMILES for (2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide is CN(Cc1ccccc1)C(=O)[C@@H](CCc1ccccc1)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of (2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide?
The InChIKey is BFTZOBITPYYKQZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3S/c1-29(16-18-10-6-3-7-11-18)24(30)22(13-12-17-8-4-2-5-9-17)28-33(31,32)19-14-20(25)23(27)21(26)15-19/h2-11,14-15,22,28H,12-13,16,27H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide?
(2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide has a molecular weight of 506.46 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 58504877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).