N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

C18H24FN3O3S2 — CID 30525669

IUPACN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1cccc(F)c1
InChIInChI=1S/C18H24FN3O3S2/c1-22(2)16(13-5-4-6-14(19)11-13)12-20-18(23)17-8-7-15(26-17)9-10-21-27(3,24)25/h4-8,11,16,21H,9-10,12H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyKNMYVSLGRAAVRE-INIZCTEOSA-N
MW413.54 g/mol
LogP2.01
Rot. Bonds9

About N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (PubChem CID 30525669) has the molecular formula C18H24FN3O3S2 and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
PubChem CID30525669
Molecular FormulaC18H24FN3O3S2
Molecular Weight413.54 g/mol
Exact Mass413.12
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1cccc(F)c1
InChIInChI=1S/C18H24FN3O3S2/c1-22(2)16(13-5-4-6-14(19)11-13)12-20-18(23)17-8-7-15(26-17)9-10-21-27(3,24)25/h4-8,11,16,21H,9-10,12H2,1-3H3,(H,20,23)/t16-/m0/s1
InChIKeyKNMYVSLGRAAVRE-INIZCTEOSA-N
XLogP2.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 43034279
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-(4-fluoro-2-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27286968
N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 46523672
5-[2-(methanesulfonamido)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 33248716
1-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-3-fluorobenzene
CID 134035716
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 47006082
4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 42907160
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-dimethylbenzamide
CID 25480231
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27285772

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (CID 30525669) is N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is CN(C)[C@@H](CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The InChIKey is KNMYVSLGRAAVRE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24FN3O3S2/c1-22(2)16(13-5-4-6-14(19)11-13)12-20-18(23)17-8-7-15(26-17)9-10-21-27(3,24)25/h4-8,11,16,21H,9-10,12H2,1-3H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 30525669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).