dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate

C20H23NO5S — CID 5177463

IUPACdimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OC)c1C
InChIInChI=1S/C20H23NO5S/c1-11-14(18(23)25-5)17(27-15(11)19(24)26-6)21-16(22)12-7-9-13(10-8-12)20(2,3)4/h7-10H,1-6H3,(H,21,22)
InChIKeyLYCHAJAYHMNJGK-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.18
Rot. Bonds4

About dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 5177463) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID5177463
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Namedimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OC)c1C
InChIInChI=1S/C20H23NO5S/c1-11-14(18(23)25-5)17(27-15(11)19(24)26-6)21-16(22)12-7-9-13(10-8-12)20(2,3)4/h7-10H,1-6H3,(H,21,22)
InChIKeyLYCHAJAYHMNJGK-UHFFFAOYSA-N
XLogP4.18
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 5-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 44918791
methyl 5-carbamoyl-2-[(4-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1225568
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691
methyl 2-[(4-chlorobenzoyl)amino]-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 17064008
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate
CID 44918808
dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 41085326
dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1221956
dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate
CID 896695
dimethyl 3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2,4-dicarboxylate
CID 2933338
dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1358488
methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 4054281

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (CID 5177463) is dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is LYCHAJAYHMNJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-11-14(18(23)25-5)17(27-15(11)19(24)26-6)21-16(22)12-7-9-13(10-8-12)20(2,3)4/h7-10H,1-6H3,(H,21,22).
What are the key properties of dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 389.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 5177463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).