N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide

C16H17BrN2O3S — CID 113000546

IUPACN-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
SMILESCCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O3S/c1-2-12-6-8-15(9-7-12)23(21,22)18-11-16(20)19-14-5-3-4-13(17)10-14/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyICEJUGSPRQEPCX-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.93
Rot. Bonds6

About N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide

N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide (PubChem CID 113000546) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
PubChem CID113000546
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
SMILESCCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O3S/c1-2-12-6-8-15(9-7-12)23(21,22)18-11-16(20)19-14-5-3-4-13(17)10-14/h3-10,18H,2,11H2,1H3,(H,19,20)
InChIKeyICEJUGSPRQEPCX-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-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3627107
N-(3-ethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24536492
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
2-[(4-ethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996082
3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
CID 126256740
N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126367263
N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 24643347
N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 126268267
2-(benzenesulfonamido)-N-(3-fluorophenyl)acetamide
CID 891841
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide (CID 113000546) is N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide is CCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
The InChIKey is ICEJUGSPRQEPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-2-12-6-8-15(9-7-12)23(21,22)18-11-16(20)19-14-5-3-4-13(17)10-14/h3-10,18H,2,11H2,1H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
N-(3-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-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 113000546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).