2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C20H25N3O3S — CID 1460381

IUPAC2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(Cc2ccccc2)C(=O)C(C)C)c(C(N)=O)c1C
InChIInChI=1S/C20H25N3O3S/c1-12(2)20(26)23(10-15-8-6-5-7-9-15)11-16(24)22-19-17(18(21)25)13(3)14(4)27-19/h5-9,12H,10-11H2,1-4H3,(H2,21,25)(H,22,24)
InChIKeyMBOISQFLNOWULW-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.09
Rot. Bonds7

About 2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1460381) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID1460381
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(Cc2ccccc2)C(=O)C(C)C)c(C(N)=O)c1C
InChIInChI=1S/C20H25N3O3S/c1-12(2)20(26)23(10-15-8-6-5-7-9-15)11-16(24)22-19-17(18(21)25)13(3)14(4)27-19/h5-9,12H,10-11H2,1-4H3,(H2,21,25)(H,22,24)
InChIKeyMBOISQFLNOWULW-UHFFFAOYSA-N
XLogP3.09
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide with MolForge

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Related Compounds

2-[[2-[cyclohexanecarbonyl(2-phenylethyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 1460407
N-[2-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 43813737
2-[[2-[benzoyl(cyclopentyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 43813707
2-[[2-[benzoyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 43813708
4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 46926709
2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 692952
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56500894
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1015549
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 7634627
ethyl 2-[[2-[benzyl(ethyl)amino]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 8533486
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 1460381) is 2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)C(C)C)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is MBOISQFLNOWULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-12(2)20(26)23(10-15-8-6-5-7-9-15)11-16(24)22-19-17(18(21)25)13(3)14(4)27-19/h5-9,12H,10-11H2,1-4H3,(H2,21,25)(H,22,24).
What are the key properties of 2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1460381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).