methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate

C18H15NO4S — CID 3368633

IUPACmethyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccccc2c1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H15NO4S/c1-22-12-9-7-11(8-10-12)17(20)19-15-13-5-3-4-6-14(13)24-16(15)18(21)23-2/h3-10H,1-2H3,(H,19,20)
InChIKeyCDUGHLZGCOAHOW-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.95
Rot. Bonds4

About methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate

methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate (PubChem CID 3368633) has the molecular formula C18H15NO4S and a molecular weight of 341.39 g/mol. Its IUPAC name is methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
PubChem CID3368633
Molecular FormulaC18H15NO4S
Molecular Weight341.39 g/mol
Exact Mass341.07
IUPAC Namemethyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccccc2c1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H15NO4S/c1-22-12-9-7-11(8-10-12)17(20)19-15-13-5-3-4-6-14(13)24-16(15)18(21)23-2/h3-10H,1-2H3,(H,19,20)
InChIKeyCDUGHLZGCOAHOW-UHFFFAOYSA-N
XLogP3.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-bromobenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 4103480
methyl 3-[(3,4-dimethylbenzoyl)amino]-1-benzothiophene-2-carboxylate
CID 3388604
methyl 3-(methylamino)-1-benzothiophene-2-carboxylate
CID 12789528
methyl 3-[(2-amino-2-methylpropanoyl)amino]-1-benzothiophene-2-carboxylate
CID 61265850
methyl 3-(2-bromopropanoylamino)-1-benzothiophene-2-carboxylate
CID 107903129
methyl 3-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 3679748
(E)-4-[(2-methoxycarbonyl-1-benzothiophen-3-yl)amino]-4-oxobut-2-enoic acid
CID 43580041
methyl 3-(4-hydroxybutanoylamino)-1-benzothiophene-2-carboxylate
CID 79204582
methyl 3-[(2-amino-3-methylbutanoyl)amino]-1-benzothiophene-2-carboxylate
CID 61258305
methyl 3-[(3-amino-2-methoxypropanoyl)amino]-1-benzothiophene-2-carboxylate
CID 106112483
methyl 3-[[4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 16833634
methyl 3-[[4-[[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]sulfonyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 98143772

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate (CID 3368633) is methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate is COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate?
The InChIKey is CDUGHLZGCOAHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S/c1-22-12-9-7-11(8-10-12)17(20)19-15-13-5-3-4-6-14(13)24-16(15)18(21)23-2/h3-10H,1-2H3,(H,19,20).
What are the key properties of methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate?
methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxybenzoyl)amino]-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 3368633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).