N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide

C16H20N2O2S — CID 63992462

IUPACN-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(C)c1sccc1C
InChIInChI=1S/C16H20N2O2S/c1-10-7-8-21-16(10)11(2)17-14-9-13(18-12(3)19)5-6-15(14)20-4/h5-9,11,17H,1-4H3,(H,18,19)
InChIKeyXXNPCQDVCFRKJE-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.20
Rot. Bonds5

About N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide

N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide (PubChem CID 63992462) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
PubChem CID63992462
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(C)c1sccc1C
InChIInChI=1S/C16H20N2O2S/c1-10-7-8-21-16(10)11(2)17-14-9-13(18-12(3)19)5-6-15(14)20-4/h5-9,11,17H,1-4H3,(H,18,19)
InChIKeyXXNPCQDVCFRKJE-UHFFFAOYSA-N
XLogP4.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992830
4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]benzoic acid
CID 63992893
tert-butyl N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]carbamate
CID 113354897
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991837
2-(5-acetamido-2-methoxyanilino)butanoic acid
CID 115352715
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 160849117
N-[4-methoxy-3-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]phenyl]acetamide
CID 55431879
N-(5-acetamido-2-methoxyphenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 16563086

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide (CID 63992462) is N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide is COc1ccc(NC(C)=O)cc1NC(C)c1sccc1C.
What is the InChIKey of N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide?
The InChIKey is XXNPCQDVCFRKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-7-8-21-16(10)11(2)17-14-9-13(18-12(3)19)5-6-15(14)20-4/h5-9,11,17H,1-4H3,(H,18,19).
What are the key properties of N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide?
N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 63992462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).