2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide

C27H22ClFN2O4S — CID 21075488

IUPAC2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N(Cc1cccc(Oc2ccccc2F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H22ClFN2O4S/c28-21-13-15-23(16-14-21)36(33,34)31(26(27(30)32)20-8-2-1-3-9-20)18-19-7-6-10-22(17-19)35-25-12-5-4-11-24(25)29/h1-17,26H,18H2,(H2,30,32)
InChIKeyNGIOBGJMJBZCPW-UHFFFAOYSA-N
MW525.00 g/mol
LogP5.69
Rot. Bonds9

About 2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide

2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide (PubChem CID 21075488) has the molecular formula C27H22ClFN2O4S and a molecular weight of 525.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide
PubChem CID21075488
Molecular FormulaC27H22ClFN2O4S
Molecular Weight525.00 g/mol
Exact Mass524.10
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N(Cc1cccc(Oc2ccccc2F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H22ClFN2O4S/c28-21-13-15-23(16-14-21)36(33,34)31(26(27(30)32)20-8-2-1-3-9-20)18-19-7-6-10-22(17-19)35-25-12-5-4-11-24(25)29/h1-17,26H,18H2,(H2,30,32)
InChIKeyNGIOBGJMJBZCPW-UHFFFAOYSA-N
XLogP5.69
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.00
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[[3-(difluoromethoxy)phenyl]methyl]amino]-2-phenylacetamide
CID 21075497
3-[[(2-amino-2-oxo-1-phenylethyl)-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid
CID 21075529
2-[(4-chlorophenyl)sulfonyl-[(3-nitrophenyl)methyl]amino]-2-phenylacetamide
CID 21075502
2-[(4-chlorophenyl)sulfonyl-[(3,5-dimethylphenyl)methyl]amino]-2-phenylacetamide
CID 21075494
2-[(4-chlorophenyl)sulfonyl-[[4-(trifluoromethylsulfanyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075524
2-[(4-chlorophenyl)sulfonyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075487
2-[(4-chlorophenyl)sulfonyl-[2-[4-(trifluoromethoxy)phenyl]ethyl]amino]-2-phenylacetamide
CID 174508550
2-[[4-butoxy-2-(trifluoromethyl)quinolin-6-yl]methyl-(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 21075566
(2R)-2-[(4-chlorophenyl)sulfonyl-[(3-methoxyphenyl)methyl]amino]-4-methylpentanamide
CID 71462262
2-[(4-chlorophenyl)sulfonyl-[[4-(thiadiazol-4-yl)phenyl]methyl]amino]-2-phenylacetamide
CID 21075505
(2R)-2-[(4-chlorophenyl)sulfonyl-[2-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]amino]-2-phenylacetamide
CID 174522740
(2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-methyltetrazol-5-yl)phenyl]methyl]amino]-2-phenylacetamide
CID 11620236

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide (CID 21075488) is 2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide is NC(=O)C(c1ccccc1)N(Cc1cccc(Oc2ccccc2F)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide?
The InChIKey is NGIOBGJMJBZCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN2O4S/c28-21-13-15-23(16-14-21)36(33,34)31(26(27(30)32)20-8-2-1-3-9-20)18-19-7-6-10-22(17-19)35-25-12-5-4-11-24(25)29/h1-17,26H,18H2,(H2,30,32).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide?
2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide has a molecular weight of 525.00 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[[3-(2-fluorophenoxy)phenyl]methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 21075488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).