N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C23H21Cl2FN2O3S — CID 126071780

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)Cc2ccccc2F)cc1
InChIInChI=1S/C23H21Cl2FN2O3S/c1-16-6-10-20(11-7-16)32(30,31)28(14-18-4-2-3-5-22(18)26)15-23(29)27-13-17-8-9-19(24)12-21(17)25/h2-12H,13-15H2,1H3,(H,27,29)
InChIKeyRVJWMAFZJSWRCN-UHFFFAOYSA-N
MW495.40 g/mol
LogP4.95
Rot. Bonds8

About N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 126071780) has the molecular formula C23H21Cl2FN2O3S and a molecular weight of 495.40 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID126071780
Molecular FormulaC23H21Cl2FN2O3S
Molecular Weight495.40 g/mol
Exact Mass494.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)Cc2ccccc2F)cc1
InChIInChI=1S/C23H21Cl2FN2O3S/c1-16-6-10-20(11-7-16)32(30,31)28(14-18-4-2-3-5-22(18)26)15-23(29)27-13-17-8-9-19(24)12-21(17)25/h2-12H,13-15H2,1H3,(H,27,29)
InChIKeyRVJWMAFZJSWRCN-UHFFFAOYSA-N
XLogP4.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070095
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100792569
N-(3,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126064523
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 126058172
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126321404
N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1320309
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301025
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 3894856
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 126066405
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 4005841
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100793679
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 43872067

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 126071780) is N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(Cl)cc2Cl)Cc2ccccc2F)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is RVJWMAFZJSWRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O3S/c1-16-6-10-20(11-7-16)32(30,31)28(14-18-4-2-3-5-22(18)26)15-23(29)27-13-17-8-9-19(24)12-21(17)25/h2-12H,13-15H2,1H3,(H,27,29).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 495.40 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126071780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).