(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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Related Compounds

2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-3-methoxypropanoic acid
CID 166224314
2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-4-(2-cyanopyrrol-1-yl)-N-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 58509254
(2R)-N-benzyl-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-N-methyl-3-phenylpropanamide
CID 30143975
N-benzyl-4-(2-cyanopyrrol-1-yl)-N-methyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanamide
CID 58509064
(2S)-N,N-dibenzyl-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94862990
N,N-dibenzyl-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43889202
4-methyl-N-[(3S)-4-oxo-1-phenylpentan-3-yl]benzenesulfonamide
CID 71199596
ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3798120
4-[(1-amino-1-oxo-4-phenylbutan-2-yl)sulfamoyl]benzamide
CID 18513137
2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide
CID 123799963
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
(2S)-N-benzyl-2-[(2-chlorophenyl)methylsulfonyl]-N-methylpropanamide
CID 51946927

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).