2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide

C23H21Cl2FN2O3S — CID 28545720

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C23H21Cl2FN2O3S/c24-19-8-11-21(25)22(14-19)32(30,31)28(13-12-17-4-2-1-3-5-17)16-23(29)27-15-18-6-9-20(26)10-7-18/h1-11,14H,12-13,15-16H2,(H,27,29)
InChIKeyBNHQVZCBKNXFMN-UHFFFAOYSA-N
MW495.40 g/mol
LogP4.68
Rot. Bonds9

About 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 28545720) has the molecular formula C23H21Cl2FN2O3S and a molecular weight of 495.40 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID28545720
Molecular FormulaC23H21Cl2FN2O3S
Molecular Weight495.40 g/mol
Exact Mass494.06
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C23H21Cl2FN2O3S/c24-19-8-11-21(25)22(14-19)32(30,31)28(13-12-17-4-2-1-3-5-17)16-23(29)27-15-18-6-9-20(26)10-7-18/h1-11,14H,12-13,15-16H2,(H,27,29)
InChIKeyBNHQVZCBKNXFMN-UHFFFAOYSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
CID 126012482
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1331141
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4816152
N-(2,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016543
N-(3,5-dichlorophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126020917
N-(4-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126016058
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 126022251
2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 45371966
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937663
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1119933
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874380
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861366

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 28545720) is 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is BNHQVZCBKNXFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O3S/c24-19-8-11-21(25)22(14-19)32(30,31)28(13-12-17-4-2-1-3-5-17)16-23(29)27-15-18-6-9-20(26)10-7-18/h1-11,14H,12-13,15-16H2,(H,27,29).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 495.40 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 28545720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).