N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide

C15H17ClN2OS — CID 43096448

IUPACN-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCc2ccc(Cl)s2)c1
InChIInChI=1S/C15H17ClN2OS/c1-10(17-9-14-6-7-15(16)20-14)12-4-3-5-13(8-12)18-11(2)19/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyQGLFSGWMWNENAR-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.21
Rot. Bonds5

About N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide

N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide (PubChem CID 43096448) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide
PubChem CID43096448
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCc2ccc(Cl)s2)c1
InChIInChI=1S/C15H17ClN2OS/c1-10(17-9-14-6-7-15(16)20-14)12-4-3-5-13(8-12)18-11(2)19/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyQGLFSGWMWNENAR-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43182699
(1R)-1-(3-bromophenyl)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81382627
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
N-[4-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]propanamide;hydrochloride
CID 47030478
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
5-[[1-(3-chlorophenyl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 103242506
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
CID 55585286
N-[3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 43210210
N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide
CID 115761611
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide (CID 43096448) is N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCc2ccc(Cl)s2)c1.
What is the InChIKey of N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide?
The InChIKey is QGLFSGWMWNENAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-10(17-9-14-6-7-15(16)20-14)12-4-3-5-13(8-12)18-11(2)19/h3-8,10,17H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide?
N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide has a molecular weight of 308.83 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(5-chlorothiophen-2-yl)methylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 43096448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).