propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate

C20H25NO5S — CID 1221114

IUPACpropan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)c2ccc(OC)cc2OC)c1C(=O)OC(C)C
InChIInChI=1S/C20H25NO5S/c1-7-14-12(4)27-19(17(14)20(23)26-11(2)3)21-18(22)15-9-8-13(24-5)10-16(15)25-6/h8-11H,7H2,1-6H3,(H,21,22)
InChIKeyYCTQDRRQKWYKIA-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.45
Rot. Bonds7

About propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate

propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 1221114) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID1221114
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Namepropan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)c2ccc(OC)cc2OC)c1C(=O)OC(C)C
InChIInChI=1S/C20H25NO5S/c1-7-14-12(4)27-19(17(14)20(23)26-11(2)3)21-18(22)15-9-8-13(24-5)10-16(15)25-6/h8-11H,7H2,1-6H3,(H,21,22)
InChIKeyYCTQDRRQKWYKIA-UHFFFAOYSA-N
XLogP4.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 2-[(2,5-dichlorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 4059324
propan-2-yl 4-ethyl-5-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 903536
diethyl 5-[(2,4-dimethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5052468
2-[(2,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 844073
methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 996299
propan-2-yl 4-ethyl-2-[[5-[(4-ethyl-5-methyl-3-propan-2-yloxycarbonylthiophen-2-yl)amino]-5-oxopentanoyl]amino]-5-methylthiophene-3-carboxylate
CID 5144166
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
propan-2-yl 2-[(5-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 5185070
propan-2-yl 4-ethyl-2-(hexanoylamino)-5-methylthiophene-3-carboxylate
CID 4549408
ethyl 4-ethyl-2-[3-(4-methoxyphenyl)prop-2-enoylamino]-5-methylthiophene-3-carboxylate
CID 5092745
ethyl 2-[[2-(2,4-dimethoxybenzoyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2504635
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate (CID 1221114) is propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate is CCc1c(C)sc(NC(=O)c2ccc(OC)cc2OC)c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is YCTQDRRQKWYKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-7-14-12(4)27-19(17(14)20(23)26-11(2)3)21-18(22)15-9-8-13(24-5)10-16(15)25-6/h8-11H,7H2,1-6H3,(H,21,22).
What are the key properties of propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 391.49 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(2,4-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 1221114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).