N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide

C25H28N2O4S — CID 42088350

IUPACN-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1CC
InChIInChI=1S/C25H28N2O4S/c1-5-10-22-16(6-2)13-23(32-22)25(29)27-19-15-20(30-3)18(14-21(19)31-4)26-24(28)17-11-8-7-9-12-17/h7-9,11-15H,5-6,10H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyCUQJIYOPHKADKA-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.78
Rot. Bonds9

About N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide

N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide (PubChem CID 42088350) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide
PubChem CID42088350
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1CC
InChIInChI=1S/C25H28N2O4S/c1-5-10-22-16(6-2)13-23(32-22)25(29)27-19-15-20(30-3)18(14-21(19)31-4)26-24(28)17-11-8-7-9-12-17/h7-9,11-15H,5-6,10H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyCUQJIYOPHKADKA-UHFFFAOYSA-N
XLogP5.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
4-ethyl-N-(2-methylphenyl)-5-propylthiophene-2-carboxamide
CID 26914221
N-[2-(dimethylcarbamoyl)-4,5-dimethoxyphenyl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 32513296
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
CID 8660271
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide
CID 4035607
N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide
CID 19180504
N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 119265950
N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4304532
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide
CID 9270687

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide?
The IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide (CID 42088350) is N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide?
The canonical SMILES for N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1CC.
What is the InChIKey of N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide?
The InChIKey is CUQJIYOPHKADKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-5-10-22-16(6-2)13-23(32-22)25(29)27-19-15-20(30-3)18(14-21(19)31-4)26-24(28)17-11-8-7-9-12-17/h7-9,11-15H,5-6,10H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide?
N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 5.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 42088350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).