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

C22H22N2O3S — CID 1010410

IUPAC5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1
InChIInChI=1S/C22H22N2O3S/c1-14-18(12-15-6-4-3-5-7-15)28-22(20(14)21(23)26)24-19(25)13-16-8-10-17(27-2)11-9-16/h3-11H,12-13H2,1-2H3,(H2,23,26)(H,24,25)
InChIKeyFZVRFWLEVBBJHN-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.94
Rot. Bonds7

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

5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide (PubChem CID 1010410) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
PubChem CID1010410
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1
InChIInChI=1S/C22H22N2O3S/c1-14-18(12-15-6-4-3-5-7-15)28-22(20(14)21(23)26)24-19(25)13-16-8-10-17(27-2)11-9-16/h3-11H,12-13H2,1-2H3,(H2,23,26)(H,24,25)
InChIKeyFZVRFWLEVBBJHN-UHFFFAOYSA-N
XLogP3.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-2-[3-(4-methoxyphenyl)prop-2-enoylamino]-4-methylthiophene-3-carboxamide
CID 1192055
5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 1293810
4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobutanoate
CID 4078615
5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide
CID 54789656
5-benzyl-4-methyl-2-[(2-naphthalen-2-yloxyacetyl)carbamothioylamino]thiophene-3-carboxamide
CID 4630980
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
2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide
CID 54787416
5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide
CID 1013520
N-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 3401255
5-benzyl-2-[(3-bromo-4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxamide
CID 1323704
methyl 5-[(4-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 19579270

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide (CID 1010410) is 5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide is COc1ccc(CC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1.
What is the InChIKey of 5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide?
The InChIKey is FZVRFWLEVBBJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-14-18(12-15-6-4-3-5-7-15)28-22(20(14)21(23)26)24-19(25)13-16-8-10-17(27-2)11-9-16/h3-11H,12-13H2,1-2H3,(H2,23,26)(H,24,25).
What are the key properties of 5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide?
5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 1010410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).