2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide

C23H23ClN2O3S — CID 1343866

IUPAC2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O3S/c24-21-13-11-20(12-14-21)17-25-23(27)18-26(16-15-19-7-3-1-4-8-19)30(28,29)22-9-5-2-6-10-22/h1-14H,15-18H2,(H,25,27)
InChIKeyDECOIBSYHQSWSE-UHFFFAOYSA-N
MW442.97 g/mol
LogP3.89
Rot. Bonds9

About 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide

2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 1343866) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID1343866
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESO=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O3S/c24-21-13-11-20(12-14-21)17-25-23(27)18-26(16-15-19-7-3-1-4-8-19)30(28,29)22-9-5-2-6-10-22/h1-14H,15-18H2,(H,25,27)
InChIKeyDECOIBSYHQSWSE-UHFFFAOYSA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide (CID 1343866) is 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide is O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is DECOIBSYHQSWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c24-21-13-11-20(12-14-21)17-25-23(27)18-26(16-15-19-7-3-1-4-8-19)30(28,29)22-9-5-2-6-10-22/h1-14H,15-18H2,(H,25,27).
What are the key properties of 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide?
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 442.97 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 1343866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).