2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C23H21Cl2FN2O3S — CID 30401134

IUPAC2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H21Cl2FN2O3S/c1-16(17-6-10-20(26)11-7-17)27-23(29)15-28(14-18-4-2-3-5-22(18)25)32(30,31)21-12-8-19(24)9-13-21/h2-13,16H,14-15H2,1H3,(H,27,29)/t16-/m1/s1
InChIKeyAFOHDTFYLUXKLZ-MRXNPFEDSA-N
MW495.40 g/mol
LogP5.20
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 30401134) has the molecular formula C23H21Cl2FN2O3S and a molecular weight of 495.40 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID30401134
Molecular FormulaC23H21Cl2FN2O3S
Molecular Weight495.40 g/mol
Exact Mass494.06
IUPAC Name2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H21Cl2FN2O3S/c1-16(17-6-10-20(26)11-7-17)27-23(29)15-28(14-18-4-2-3-5-22(18)25)32(30,31)21-12-8-19(24)9-13-21/h2-13,16H,14-15H2,1H3,(H,27,29)/t16-/m1/s1
InChIKeyAFOHDTFYLUXKLZ-MRXNPFEDSA-N
XLogP5.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.40
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401281
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 28545519
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401160
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 28544752
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2293122
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401241
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 126070154
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 126066942
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871862
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2191998
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 1284016
N-[1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 43871903

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 30401134) is 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is AFOHDTFYLUXKLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O3S/c1-16(17-6-10-20(26)11-7-17)27-23(29)15-28(14-18-4-2-3-5-22(18)25)32(30,31)21-12-8-19(24)9-13-21/h2-13,16H,14-15H2,1H3,(H,27,29)/t16-/m1/s1.
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 495.40 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 30401134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).