N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide

C16H17BrN2O3S — CID 113057237

IUPACN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-13(20)19(15-5-3-2-4-6-15)12-11-18-23(21,22)16-9-7-14(17)8-10-16/h2-10,18H,11-12H2,1H3
InChIKeyXZTRTDWVAGYZNV-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.78
Rot. Bonds6

About N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide

N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide (PubChem CID 113057237) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
PubChem CID113057237
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H17BrN2O3S/c1-13(20)19(15-5-3-2-4-6-15)12-11-18-23(21,22)16-9-7-14(17)8-10-16/h2-10,18H,11-12H2,1H3
InChIKeyXZTRTDWVAGYZNV-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469
N-(4-ethylphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058462
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061863
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113060118
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-butylacetamide
CID 113052454
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 113058470
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057272
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(2-ethylphenyl)acetamide
CID 113058359
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 43007201

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide?
The IUPAC name of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide (CID 113057237) is N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide?
The canonical SMILES for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide?
The InChIKey is XZTRTDWVAGYZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c1-13(20)19(15-5-3-2-4-6-15)12-11-18-23(21,22)16-9-7-14(17)8-10-16/h2-10,18H,11-12H2,1H3.
What are the key properties of N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide?
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide has a molecular weight of 397.29 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide is sourced from PubChem (CID 113057237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).