N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide

C19H20N2O2S — CID 24624690

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C19H20N2O2S/c1-14-5-6-17(23-2)15(13-14)7-9-20-19(22)18-16(8-12-24-18)21-10-3-4-11-21/h3-6,8,10-13H,7,9H2,1-2H3,(H,20,22)
InChIKeyQUSYXDZMUCZOMD-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.83
Rot. Bonds6

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 24624690) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID24624690
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C19H20N2O2S/c1-14-5-6-17(23-2)15(13-14)7-9-20-19(22)18-16(8-12-24-18)21-10-3-4-11-21/h3-6,8,10-13H,7,9H2,1-2H3,(H,20,22)
InChIKeyQUSYXDZMUCZOMD-UHFFFAOYSA-N
XLogP3.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 31115178
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 41309125
N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
CID 24623987
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
4-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 112798288
2-[2-[(3-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 81121353
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26954022
2-(hydroxymethyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 115186689
N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 41309387
N-[5-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 33319271

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide (CID 24624690) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide is COc1ccc(C)cc1CCNC(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is QUSYXDZMUCZOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-5-6-17(23-2)15(13-14)7-9-20-19(22)18-16(8-12-24-18)21-10-3-4-11-21/h3-6,8,10-13H,7,9H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 24624690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).