N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

C25H28FN3O4S — CID 55527106

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCOc1cccc(C(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N(C)C)c1
InChIInChI=1S/C25H28FN3O4S/c1-29(2)24(19-5-4-6-22(16-19)33-3)17-27-25(30)15-18-7-11-21(12-8-18)28-34(31,32)23-13-9-20(26)10-14-23/h4-14,16,24,28H,15,17H2,1-3H3,(H,27,30)
InChIKeyNINOAERZLUWPMX-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.60
Rot. Bonds10

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 55527106) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
PubChem CID55527106
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCOc1cccc(C(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N(C)C)c1
InChIInChI=1S/C25H28FN3O4S/c1-29(2)24(19-5-4-6-22(16-19)33-3)17-27-25(30)15-18-7-11-21(12-8-18)28-34(31,32)23-13-9-20(26)10-14-23/h4-14,16,24,28H,15,17H2,1-3H3,(H,27,30)
InChIKeyNINOAERZLUWPMX-UHFFFAOYSA-N
XLogP3.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
2-[4-(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 51251248
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56538689
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 43017221
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55347598
2-(2,6-dichlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796116
N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 95268454
3-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methylurea
CID 94585461
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 25331393
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55337277

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (CID 55527106) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is COc1cccc(C(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is NINOAERZLUWPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c1-29(2)24(19-5-4-6-22(16-19)33-3)17-27-25(30)15-18-7-11-21(12-8-18)28-34(31,32)23-13-9-20(26)10-14-23/h4-14,16,24,28H,15,17H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 485.58 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 55527106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).