N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

C22H20BrFN2O3S — CID 25407041

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1Br
InChIInChI=1S/C22H20BrFN2O3S/c1-15(20-4-2-3-5-21(20)23)25-22(27)14-16-6-10-18(11-7-16)26-30(28,29)19-12-8-17(24)9-13-19/h2-13,15,26H,14H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyPTRMLGDXBVTVIA-HNNXBMFYSA-N
MW491.38 g/mol
LogP4.81
Rot. Bonds7

About N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 25407041) has the molecular formula C22H20BrFN2O3S and a molecular weight of 491.38 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
PubChem CID25407041
Molecular FormulaC22H20BrFN2O3S
Molecular Weight491.38 g/mol
Exact Mass490.04
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESC[C@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1Br
InChIInChI=1S/C22H20BrFN2O3S/c1-15(20-4-2-3-5-21(20)23)25-22(27)14-16-6-10-18(11-7-16)26-30(28,29)19-12-8-17(24)9-13-19/h2-13,15,26H,14H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyPTRMLGDXBVTVIA-HNNXBMFYSA-N
XLogP4.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.38
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]-N-propan-2-ylbenzamide
CID 34556664
2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 81383148
N-[(1S)-1-(2-bromophenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 9220031
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate
CID 56551038
N-[1-(4-fluorophenyl)ethyl]-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 43906459

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (CID 25407041) is N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is C[C@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is PTRMLGDXBVTVIA-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20BrFN2O3S/c1-15(20-4-2-3-5-21(20)23)25-22(27)14-16-6-10-18(11-7-16)26-30(28,29)19-12-8-17(24)9-13-19/h2-13,15,26H,14H2,1H3,(H,25,27)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 491.38 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 25407041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).