2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide

C23H22Cl2N2O4S — CID 126383679

IUPAC2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-16(17-7-3-2-4-8-17)27-32(29,30)19-11-12-22(21(25)13-19)31-15-23(28)26-14-18-9-5-6-10-20(18)24/h2-13,16,27H,14-15H2,1H3,(H,26,28)/t16-/m1/s1
InChIKeyVJSDRPLBQVVDRH-MRXNPFEDSA-N
MW493.41 g/mol
LogP4.73
Rot. Bonds9

About 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide

2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 126383679) has the molecular formula C23H22Cl2N2O4S and a molecular weight of 493.41 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID126383679
Molecular FormulaC23H22Cl2N2O4S
Molecular Weight493.41 g/mol
Exact Mass492.07
IUPAC Name2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C23H22Cl2N2O4S/c1-16(17-7-3-2-4-8-17)27-32(29,30)19-11-12-22(21(25)13-19)31-15-23(28)26-14-18-9-5-6-10-20(18)24/h2-13,16,27H,14-15H2,1H3,(H,26,28)/t16-/m1/s1
InChIKeyVJSDRPLBQVVDRH-MRXNPFEDSA-N
XLogP4.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126277429
N-tert-butyl-2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126381951
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 4276516
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 2981487
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
CID 126393256
N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 4543169
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
CID 40975726
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 3618567

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide (CID 126383679) is 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide is C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is VJSDRPLBQVVDRH-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22Cl2N2O4S/c1-16(17-7-3-2-4-8-17)27-32(29,30)19-11-12-22(21(25)13-19)31-15-23(28)26-14-18-9-5-6-10-20(18)24/h2-13,16,27H,14-15H2,1H3,(H,26,28)/t16-/m1/s1.
What are the key properties of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide?
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 493.41 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 126383679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).