N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide

C20H19BrN2O3S — CID 2234331

IUPACN-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19BrN2O3S/c1-2-23(14-20(24)22-18-9-5-8-17(21)13-18)27(25,26)19-11-10-15-6-3-4-7-16(15)12-19/h3-13H,2,14H2,1H3,(H,22,24)
InChIKeyMIVLXYMOOQMVTC-UHFFFAOYSA-N
MW447.35 g/mol
LogP4.25
Rot. Bonds6

About N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide

N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 2234331) has the molecular formula C20H19BrN2O3S and a molecular weight of 447.35 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
PubChem CID2234331
Molecular FormulaC20H19BrN2O3S
Molecular Weight447.35 g/mol
Exact Mass446.03
IUPAC NameN-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19BrN2O3S/c1-2-23(14-20(24)22-18-9-5-8-17(21)13-18)27(25,26)19-11-10-15-6-3-4-7-16(15)12-19/h3-13H,2,14H2,1H3,(H,22,24)
InChIKeyMIVLXYMOOQMVTC-UHFFFAOYSA-N
XLogP4.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3510493
N-(4-ethoxyphenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1243481
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate
CID 2217901
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375647
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
CID 9084099
N-(3-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360277
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2980569
N-(3-bromophenyl)-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 45371979
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-[(4-bromo-3-methylphenyl)sulfonyl-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 2572082
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 45372341

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 2234331) is N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide is CCN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The InChIKey is MIVLXYMOOQMVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3S/c1-2-23(14-20(24)22-18-9-5-8-17(21)13-18)27(25,26)19-11-10-15-6-3-4-7-16(15)12-19/h3-13H,2,14H2,1H3,(H,22,24).
What are the key properties of N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide?
N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide has a molecular weight of 447.35 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 2234331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).