N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C23H23BrN2O3S — CID 1141992

IUPACN-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H23BrN2O3S/c1-18-7-13-22(14-8-18)30(28,29)26(16-15-19-5-3-2-4-6-19)17-23(27)25-21-11-9-20(24)10-12-21/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyMCGLFGUXCCMBGP-UHFFFAOYSA-N
MW487.42 g/mol
LogP4.63
Rot. Bonds8

About N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 1141992) has the molecular formula C23H23BrN2O3S and a molecular weight of 487.42 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID1141992
Molecular FormulaC23H23BrN2O3S
Molecular Weight487.42 g/mol
Exact Mass486.06
IUPAC NameN-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H23BrN2O3S/c1-18-7-13-22(14-8-18)30(28,29)26(16-15-19-5-3-2-4-6-19)17-23(27)25-21-11-9-20(24)10-12-21/h2-14H,15-17H2,1H3,(H,25,27)
InChIKeyMCGLFGUXCCMBGP-UHFFFAOYSA-N
XLogP4.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 1141992) is N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is MCGLFGUXCCMBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O3S/c1-18-7-13-22(14-8-18)30(28,29)26(16-15-19-5-3-2-4-6-19)17-23(27)25-21-11-9-20(24)10-12-21/h2-14H,15-17H2,1H3,(H,25,27).
What are the key properties of N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 487.42 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 1141992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).