dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate

C20H21NO5S — CID 44918808

IUPACdimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)c(C(=O)OC)c1C
InChIInChI=1S/C20H21NO5S/c1-11-15(19(23)25-2)18(27-16(11)20(24)26-3)21-17(22)14-9-8-12-6-4-5-7-13(12)10-14/h8-10H,4-7H2,1-3H3,(H,21,22)
InChIKeyTXNKBSWKIJDDPE-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.76
Rot. Bonds4

About dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate

dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate (PubChem CID 44918808) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate
PubChem CID44918808
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Namedimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)c(C(=O)OC)c1C
InChIInChI=1S/C20H21NO5S/c1-11-15(19(23)25-2)18(27-16(11)20(24)26-3)21-17(22)14-9-8-12-6-4-5-7-13(12)10-14/h8-10H,4-7H2,1-3H3,(H,21,22)
InChIKeyTXNKBSWKIJDDPE-UHFFFAOYSA-N
XLogP3.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7287248
methyl 2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzothiophene-3-carboxylate
CID 7673173
dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5177463
methyl 4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 44922171
dimethyl 5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1221956
dimethyl 5-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 44918791
dimethyl 5-[(3-amino-4-propoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 110502856
methyl 2-[(4-chlorobenzoyl)amino]-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 17064008
dimethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2,4-dicarboxylate
CID 3332536
dimethyl 3-methyl-5-(pyridine-3-carbonylamino)thiophene-2,4-dicarboxylate
CID 896695
methyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 1131009
methyl 4-methyl-2-[(3-methylbenzoyl)amino]-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
CID 17061330

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate (CID 44918808) is dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate?
The InChIKey is TXNKBSWKIJDDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-11-15(19(23)25-2)18(27-16(11)20(24)26-3)21-17(22)14-9-8-12-6-4-5-7-13(12)10-14/h8-10H,4-7H2,1-3H3,(H,21,22).
What are the key properties of dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate?
dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate has a molecular weight of 387.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 44918808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).