N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide

C27H25NO2S — CID 46082653

IUPACN,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)s2)cc1
InChIInChI=1S/C27H25NO2S/c1-2-30-24-15-13-23(14-16-24)25-17-18-26(31-25)27(29)28(19-21-9-5-3-6-10-21)20-22-11-7-4-8-12-22/h3-18H,2,19-20H2,1H3
InChIKeyBWRADUYKADAWBK-UHFFFAOYSA-N
MW427.57 g/mol
LogP6.66
Rot. Bonds8

About N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide

N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide (PubChem CID 46082653) has the molecular formula C27H25NO2S and a molecular weight of 427.57 g/mol. Its IUPAC name is N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
PubChem CID46082653
Molecular FormulaC27H25NO2S
Molecular Weight427.57 g/mol
Exact Mass427.16
IUPAC NameN,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)s2)cc1
InChIInChI=1S/C27H25NO2S/c1-2-30-24-15-13-23(14-16-24)25-17-18-26(31-25)27(29)28(19-21-9-5-3-6-10-21)20-22-11-7-4-8-12-22/h3-18H,2,19-20H2,1H3
InChIKeyBWRADUYKADAWBK-UHFFFAOYSA-N
XLogP6.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
2-amino-1-[5-(4-ethoxyphenyl)thiophen-2-yl]ethanone
CID 94273700
2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
N-methyl-5-(4-phenoxyphenyl)-N-prop-2-ynylthiophene-2-carboxamide
CID 46082910
N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 35133566
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
ethyl 2-[benzyl-(5-methylsulfanylthiophene-2-carbonyl)amino]acetate
CID 163752559
N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide
CID 107365501

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide (CID 46082653) is N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide is CCOc1ccc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)s2)cc1.
What is the InChIKey of N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is BWRADUYKADAWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2S/c1-2-30-24-15-13-23(14-16-24)25-17-18-26(31-25)27(29)28(19-21-9-5-3-6-10-21)20-22-11-7-4-8-12-22/h3-18H,2,19-20H2,1H3.
What are the key properties of N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide?
N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 46082653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).