methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate

C18H14ClNO4S — CID 19225608

IUPACmethyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2sc3ccc(OC)cc3c2Cl)c1
InChIInChI=1S/C18H14ClNO4S/c1-23-12-6-7-14-13(9-12)15(19)16(25-14)17(21)20-11-5-3-4-10(8-11)18(22)24-2/h3-9H,1-2H3,(H,20,21)
InChIKeySYDBYFLCPZPWBP-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.60
Rot. Bonds4

About methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate

methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate (PubChem CID 19225608) has the molecular formula C18H14ClNO4S and a molecular weight of 375.83 g/mol. Its IUPAC name is methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
PubChem CID19225608
Molecular FormulaC18H14ClNO4S
Molecular Weight375.83 g/mol
Exact Mass375.03
IUPAC Namemethyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2sc3ccc(OC)cc3c2Cl)c1
InChIInChI=1S/C18H14ClNO4S/c1-23-12-6-7-14-13(9-12)15(19)16(25-14)17(21)20-11-5-3-4-10(8-11)18(22)24-2/h3-9H,1-2H3,(H,20,21)
InChIKeySYDBYFLCPZPWBP-UHFFFAOYSA-N
XLogP4.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate with MolForge

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Related Compounds

methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 993999
N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225620
N-(3-acetamidophenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
CID 2225268
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4514231
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 2801561
N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064
methyl 3-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]-4-methylbenzoate
CID 2225358
3-chloro-5-methoxy-N-(4-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 19225687
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225805
3-chloro-N-[3-(2-methoxyethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 17218930
ethyl 3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]benzoate
CID 9228140
N-(4-butylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225588

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate (CID 19225608) is methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2sc3ccc(OC)cc3c2Cl)c1.
What is the InChIKey of methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate?
The InChIKey is SYDBYFLCPZPWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4S/c1-23-12-6-7-14-13(9-12)15(19)16(25-14)17(21)20-11-5-3-4-10(8-11)18(22)24-2/h3-9H,1-2H3,(H,20,21).
What are the key properties of methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate?
methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate has a molecular weight of 375.83 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 19225608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).