methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate

C19H23NO5S — CID 55488614

IUPACmethyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H23NO5S/c1-11(2)6-13-10-26-18(16(13)19(22)25-5)20-17(21)12-7-14(23-3)9-15(8-12)24-4/h7-11H,6H2,1-5H3,(H,20,21)
InChIKeyWEGADIVUCLIHCJ-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.00
Rot. Bonds7

About methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate

methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate (PubChem CID 55488614) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
PubChem CID55488614
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Namemethyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(CC(C)C)csc1NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C19H23NO5S/c1-11(2)6-13-10-26-18(16(13)19(22)25-5)20-17(21)12-7-14(23-3)9-15(8-12)24-4/h7-11H,6H2,1-5H3,(H,20,21)
InChIKeyWEGADIVUCLIHCJ-UHFFFAOYSA-N
XLogP4.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55760685
methyl 4-(2-methylpropyl)-2-[(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]thiophene-3-carboxylate
CID 56501285
methyl 2-[[3-(furan-2-carbonylamino)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55872647
methyl 4-(2-methylpropyl)-2-[[3-(oxolane-2-carbonylamino)benzoyl]amino]thiophene-3-carboxylate
CID 55645743
methyl 4-(2-methylpropyl)-2-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 55973372
methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 996299
ethyl 4-(2-methylpropyl)-2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 18131623
1-[[3-methoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087775
methyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55488542
methyl 2-[(3,5-dimethoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1167079
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 55645804
ethyl 2-[[2-(3,5-difluorobenzoyl)oxyacetyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate
CID 3265462

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate (CID 55488614) is methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate is COC(=O)c1c(CC(C)C)csc1NC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
The InChIKey is WEGADIVUCLIHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-11(2)6-13-10-26-18(16(13)19(22)25-5)20-17(21)12-7-14(23-3)9-15(8-12)24-4/h7-11H,6H2,1-5H3,(H,20,21).
What are the key properties of methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate?
methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate has a molecular weight of 377.46 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethoxybenzoyl)amino]-4-(2-methylpropyl)thiophene-3-carboxylate is sourced from PubChem (CID 55488614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).