5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide

C25H28N2O4S — CID 1293810

IUPAC5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1OCC
InChIInChI=1S/C25H28N2O4S/c1-4-30-19-12-11-18(13-20(19)31-5-2)15-22(28)27-25-23(24(26)29)16(3)21(32-25)14-17-9-7-6-8-10-17/h6-13H,4-5,14-15H2,1-3H3,(H2,26,29)(H,27,28)
InChIKeySWRZRHCCRIGICX-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.72
Rot. Bonds10

About 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide

5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide (PubChem CID 1293810) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
PubChem CID1293810
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
SMILESCCOc1ccc(CC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1OCC
InChIInChI=1S/C25H28N2O4S/c1-4-30-19-12-11-18(13-20(19)31-5-2)15-22(28)27-25-23(24(26)29)16(3)21(32-25)14-17-9-7-6-8-10-17/h6-13H,4-5,14-15H2,1-3H3,(H2,26,29)(H,27,28)
InChIKeySWRZRHCCRIGICX-UHFFFAOYSA-N
XLogP4.72
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 1010410
5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide
CID 54789656
methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 5139669
4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobutanoate
CID 4078615
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165
4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 687585
2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid
CID 1016213
5-benzyl-2-[(3-bromo-4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxamide
CID 1323704
2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide
CID 54787416
4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 46926709
5-benzyl-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
CID 1178231
5-benzyl-4-methyl-2-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]thiophene-3-carboxamide
CID 4636123

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide (CID 1293810) is 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide is CCOc1ccc(CC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1OCC.
What is the InChIKey of 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide?
The InChIKey is SWRZRHCCRIGICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-30-19-12-11-18(13-20(19)31-5-2)15-22(28)27-25-23(24(26)29)16(3)21(32-25)14-17-9-7-6-8-10-17/h6-13H,4-5,14-15H2,1-3H3,(H2,26,29)(H,27,28).
What are the key properties of 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide?
5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 4.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 1293810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).