methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

C21H20N2O4S2 — CID 17061584

IUPACmethyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)NCCc2ccccc2)c1C
InChIInChI=1S/C21H20N2O4S2/c1-13-16(21(26)27-2)20(23-18(24)15-9-6-12-28-15)29-17(13)19(25)22-11-10-14-7-4-3-5-8-14/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYFIUEYJPACCEMY-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.13
Rot. Bonds7

About methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate

methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 17061584) has the molecular formula C21H20N2O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
PubChem CID17061584
Molecular FormulaC21H20N2O4S2
Molecular Weight428.54 g/mol
Exact Mass428.09
IUPAC Namemethyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)NCCc2ccccc2)c1C
InChIInChI=1S/C21H20N2O4S2/c1-13-16(21(26)27-2)20(23-18(24)15-9-6-12-28-15)29-17(13)19(25)22-11-10-14-7-4-3-5-8-14/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYFIUEYJPACCEMY-UHFFFAOYSA-N
XLogP4.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-benzyl-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 1010283
methyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 1131500
ethyl 4-methyl-2-[(4-methylbenzoyl)amino]-5-(2-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17061547
methyl 2-[4-(2,4-dichlorophenoxy)butanoylamino]-4-methyl-5-(2-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17064156
ethyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 17062172
methyl 4,5-dimethyl-2-[4-(thiophene-2-carbonylamino)butanoylamino]thiophene-3-carboxylate
CID 51182401
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1131031
methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 4054281
methyl 5-[(4-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 19579270
methyl 5-(benzylcarbamoyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 17064979
methyl 5-(benzylcarbamoyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 17062815

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate (CID 17061584) is methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)NCCc2ccccc2)c1C.
What is the InChIKey of methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is YFIUEYJPACCEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S2/c1-13-16(21(26)27-2)20(23-18(24)15-9-6-12-28-15)29-17(13)19(25)22-11-10-14-7-4-3-5-8-14/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate?
methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 428.54 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-(2-phenylethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 17061584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).