N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide

C16H19NO3S — CID 78808460

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccsc1
InChIInChI=1S/C16H19NO3S/c1-4-17(16(18)13-7-8-21-11-13)10-12-5-6-14(19-2)15(9-12)20-3/h5-9,11H,4,10H2,1-3H3
InChIKeyNRNJQUJDNOKXIE-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.43
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide (PubChem CID 78808460) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
PubChem CID78808460
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccsc1
InChIInChI=1S/C16H19NO3S/c1-4-17(16(18)13-7-8-21-11-13)10-12-5-6-14(19-2)15(9-12)20-3/h5-9,11H,4,10H2,1-3H3
InChIKeyNRNJQUJDNOKXIE-UHFFFAOYSA-N
XLogP3.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-thiophen-3-ylpropanamide
CID 78808455
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(methylsulfonylmethyl)benzamide
CID 28546925
N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide
CID 48573492
N-[(3,4-dimethoxyphenyl)methyl]-4-(dimethylsulfamoyl)-N-ethylbenzamide
CID 8820023
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
CID 31443168
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24548570
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-nitrobenzamide
CID 28546320
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55773708
4-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24548544

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide (CID 78808460) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccsc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide?
The InChIKey is NRNJQUJDNOKXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-17(16(18)13-7-8-21-11-13)10-12-5-6-14(19-2)15(9-12)20-3/h5-9,11H,4,10H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethylthiophene-3-carboxamide is sourced from PubChem (CID 78808460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).