N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide

C15H17NO2S — CID 37358196

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2ccsc2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-18-10-13-5-3-12(4-6-13)9-16-15(17)14-7-8-19-11-14/h3-8,11H,2,9-10H2,1H3,(H,16,17)
InChIKeyIMYKWGWDHBOUBG-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.21
Rot. Bonds6

About N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide

N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide (PubChem CID 37358196) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
PubChem CID37358196
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
SMILESCCOCc1ccc(CNC(=O)c2ccsc2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-18-10-13-5-3-12(4-6-13)9-16-15(17)14-7-8-19-11-14/h3-8,11H,2,9-10H2,1H3,(H,16,17)
InChIKeyIMYKWGWDHBOUBG-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249
N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 60553572
N-[[4-(ethoxymethyl)phenyl]methyl]-3-(methoxymethyl)benzamide
CID 37358180
N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 51092014
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 47042880
N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
CID 47183552
N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55204660
N-[[4-(ethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46598097
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 47042626

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide (CID 37358196) is N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide is CCOCc1ccc(CNC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
The InChIKey is IMYKWGWDHBOUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-18-10-13-5-3-12(4-6-13)9-16-15(17)14-7-8-19-11-14/h3-8,11H,2,9-10H2,1H3,(H,16,17).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide?
N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide has a molecular weight of 275.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 37358196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).