methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate

C20H26N2O3S — CID 55666471

IUPACmethyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCN(CC)Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1
InChIInChI=1S/C20H26N2O3S/c1-6-22(7-2)12-15-8-10-16(11-9-15)18(23)21-19-17(20(24)25-5)13(3)14(4)26-19/h8-11H,6-7,12H2,1-5H3,(H,21,23)
InChIKeyYIVULPZUPUBSCN-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.25
Rot. Bonds7

About methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 55666471) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID55666471
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Namemethyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCN(CC)Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1
InChIInChI=1S/C20H26N2O3S/c1-6-22(7-2)12-15-8-10-16(11-9-15)18(23)21-19-17(20(24)25-5)13(3)14(4)26-19/h8-11H,6-7,12H2,1-5H3,(H,21,23)
InChIKeyYIVULPZUPUBSCN-UHFFFAOYSA-N
XLogP4.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 41006324
methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7287248
ethyl 2-[(4-ethylsulfonylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7579443
ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16833611
methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 82344409
methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1131031
dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 41085326
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
methyl 2-[(2,4-dimethylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7287254
ethyl 4-(diethylaminomethyl)benzoate
CID 786451
methyl 4,5-dimethyl-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 705597

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 55666471) is methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCN(CC)Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is YIVULPZUPUBSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-6-22(7-2)12-15-8-10-16(11-9-15)18(23)21-19-17(20(24)25-5)13(3)14(4)26-19/h8-11H,6-7,12H2,1-5H3,(H,21,23).
What are the key properties of methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 374.51 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 55666471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).