N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide

C19H20N2O2S — CID 37397786

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C19H20N2O2S/c1-2-23-14-16-8-4-3-7-15(16)13-20-19(22)18-17(9-12-24-18)21-10-5-6-11-21/h3-12H,2,13-14H2,1H3,(H,20,22)
InChIKeyHLKIOPNPMBHFBQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.01
Rot. Bonds7

About N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide

N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 37397786) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID37397786
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C19H20N2O2S/c1-2-23-14-16-8-4-3-7-15(16)13-20-19(22)18-17(9-12-24-18)21-10-5-6-11-21/h3-12H,2,13-14H2,1H3,(H,20,22)
InChIKeyHLKIOPNPMBHFBQ-UHFFFAOYSA-N
XLogP4.01
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 37398778
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
N-(2-hydroxy-2-methylbutyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65114528
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
methyl 2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoate
CID 103957822
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55851805
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 104857152
4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 37399072
N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 24624690

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide (CID 37397786) is N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide is CCOCc1ccccc1CNC(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is HLKIOPNPMBHFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-23-14-16-8-4-3-7-15(16)13-20-19(22)18-17(9-12-24-18)21-10-5-6-11-21/h3-12H,2,13-14H2,1H3,(H,20,22).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 37397786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).