N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide

C18H15FN2O3S — CID 35348384

IUPACN-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1NC(C)=O
InChIInChI=1S/C18H15FN2O3S/c1-10(22)20-14-9-13(4-5-15(14)24-2)21-18(23)17-8-11-7-12(19)3-6-16(11)25-17/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyGRKWCBQPGCMHMU-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.26
Rot. Bonds4

About N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide

N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 35348384) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide
PubChem CID35348384
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1NC(C)=O
InChIInChI=1S/C18H15FN2O3S/c1-10(22)20-14-9-13(4-5-15(14)24-2)21-18(23)17-8-11-7-12(19)3-6-16(11)25-17/h3-9H,1-2H3,(H,20,22)(H,21,23)
InChIKeyGRKWCBQPGCMHMU-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531
N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
CID 33307814
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
methyl 5-[(5-amino-1-benzothiophene-2-carbonyl)amino]-1-benzothiophene-2-carboxylate
CID 155017798
methyl 5-[[2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]-1-benzothiophene-2-carboxylate
CID 28549040
N-[3-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 169229512
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
N-(3,4-dimethoxyphenyl)-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191392
1-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157858
5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 61092431
5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11855386

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide (CID 35348384) is N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide is COc1ccc(NC(=O)c2cc3cc(F)ccc3s2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is GRKWCBQPGCMHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-10(22)20-14-9-13(4-5-15(14)24-2)21-18(23)17-8-11-7-12(19)3-6-16(11)25-17/h3-9H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide?
N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-5-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 35348384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).