N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

C23H23ClN2O5S — CID 126149238

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-16(17-6-4-3-5-7-17)26-32(28,29)20-11-9-19(10-12-20)31-15-23(27)25-21-14-18(24)8-13-22(21)30-2/h3-14,16,26H,15H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyMDWVCIDPPUHWBW-INIZCTEOSA-N
MW474.97 g/mol
LogP4.41
Rot. Bonds9

About N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (PubChem CID 126149238) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
PubChem CID126149238
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-16(17-6-4-3-5-7-17)26-32(28,29)20-11-9-19(10-12-20)31-15-23(27)25-21-14-18(24)8-13-22(21)30-2/h3-14,16,26H,15H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyMDWVCIDPPUHWBW-INIZCTEOSA-N
XLogP4.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide (CID 126149238) is N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
The InChIKey is MDWVCIDPPUHWBW-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-16(17-6-4-3-5-7-17)26-32(28,29)20-11-9-19(10-12-20)31-15-23(27)25-21-14-18(24)8-13-22(21)30-2/h3-14,16,26H,15H2,1-2H3,(H,25,27)/t16-/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide has a molecular weight of 474.97 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 126149238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).