N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide

C16H17BrN2O3S — CID 112998475

IUPACN-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
SMILESCCc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O3S/c1-2-12-3-9-15(10-4-12)23(21,22)18-11-16(20)19-14-7-5-13(17)6-8-14/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyLEFOEAFJRWJXOC-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.93
Rot. Bonds6

About N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide

N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide (PubChem CID 112998475) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
PubChem CID112998475
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
SMILESCCc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN2O3S/c1-2-12-3-9-15(10-4-12)23(21,22)18-11-16(20)19-14-7-5-13(17)6-8-14/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyLEFOEAFJRWJXOC-UHFFFAOYSA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113000546
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
2-[(4-ethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996082
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 1316963
2-(4-bromophenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 17256718
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
2-[(4-bromophenyl)methylsulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 22299884
N-(4-ethylphenyl)-2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]acetamide
CID 112996855
N-(4-bromophenyl)-2-(butylsulfonylamino)acetamide
CID 112998471

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide (CID 112998475) is N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide is CCc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
The InChIKey is LEFOEAFJRWJXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-2-12-3-9-15(10-4-12)23(21,22)18-11-16(20)19-14-7-5-13(17)6-8-14/h3-10,18H,2,11H2,1H3,(H,19,20).
What are the key properties of N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide has a molecular weight of 397.29 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112998475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).