dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate

C21H25NO6S — CID 1358488

IUPACdipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOc1ccc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(=O)OC(C)C)cc1
InChIInChI=1S/C21H25NO6S/c1-11(2)27-20(24)16-13(5)17(21(25)28-12(3)4)29-19(16)22-18(23)14-7-9-15(26-6)10-8-14/h7-12H,1-6H3,(H,22,23)
InChIKeyYKXQOTJQIDMCMG-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.45
Rot. Bonds7

About dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate

dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 1358488) has the molecular formula C21H25NO6S and a molecular weight of 419.50 g/mol. Its IUPAC name is dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID1358488
Molecular FormulaC21H25NO6S
Molecular Weight419.50 g/mol
Exact Mass419.14
IUPAC Namedipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOc1ccc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(=O)OC(C)C)cc1
InChIInChI=1S/C21H25NO6S/c1-11(2)27-20(24)16-13(5)17(21(25)28-12(3)4)29-19(16)22-18(23)14-7-9-15(26-6)10-8-14/h7-12H,1-6H3,(H,22,23)
InChIKeyYKXQOTJQIDMCMG-UHFFFAOYSA-N
XLogP4.45
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

dipropan-2-yl 5-[(4-ethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5166720
propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1225232
propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841124
4-O-ethyl 2-O-propan-2-yl 5-[(3,4-dimethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19182080
dipropan-2-yl 3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2,4-dicarboxylate
CID 5108899
methyl 2-[(4-methoxybenzoyl)amino]-4-methyl-5-[(3-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 1131035
propan-2-yl 4,5-dimethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 5211672
dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 4608754
dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5177463
methyl 2-[(4-methoxybenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 1131159
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
methyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1129160

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (CID 1358488) is dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is COc1ccc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(=O)OC(C)C)cc1.
What is the InChIKey of dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is YKXQOTJQIDMCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6S/c1-11(2)27-20(24)16-13(5)17(21(25)28-12(3)4)29-19(16)22-18(23)14-7-9-15(26-6)10-8-14/h7-12H,1-6H3,(H,22,23).
What are the key properties of dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 419.50 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 1358488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).