N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide

C15H15FN2OS — CID 70985461

IUPACN-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide
SMILESNc1c(NC(=O)c2ccccc2F)sc2c1CCCC2
InChIInChI=1S/C15H15FN2OS/c16-11-7-3-1-5-9(11)14(19)18-15-13(17)10-6-2-4-8-12(10)20-15/h1,3,5,7H,2,4,6,8,17H2,(H,18,19)
InChIKeyYJORTTJCGUHUKB-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.60
Rot. Bonds2

About N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide

N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide (PubChem CID 70985461) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide
PubChem CID70985461
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC NameN-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide
SMILESNc1c(NC(=O)c2ccccc2F)sc2c1CCCC2
InChIInChI=1S/C15H15FN2OS/c16-11-7-3-1-5-9(11)14(19)18-15-13(17)10-6-2-4-8-12(10)20-15/h1,3,5,7H,2,4,6,8,17H2,(H,18,19)
InChIKeyYJORTTJCGUHUKB-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2063873
N-benzyl-2-[(2-fluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 2276565
N-(2-chlorophenyl)-2-[(2-fluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 2276408
N-[3-(azepane-1-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-2-fluorobenzamide
CID 1043329
2-fluoro-N-[3-(piperidin-1-ium-1-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]benzamide
CID 3460783
2-[(2-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 712897
N-(3-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-phenylpropanamide
CID 163425721
2-[(2,5-difluorobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4766689
2-[(2-chlorobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 4592657
2-[(2-chlorobenzoyl)amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1002852
propan-2-yl 2-[[2-[(3-propan-2-yloxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 3455431
N-methyl-2-[(2-methylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 745132

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide (CID 70985461) is N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide is Nc1c(NC(=O)c2ccccc2F)sc2c1CCCC2.
What is the InChIKey of N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide?
The InChIKey is YJORTTJCGUHUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c16-11-7-3-1-5-9(11)14(19)18-15-13(17)10-6-2-4-8-12(10)20-15/h1,3,5,7H,2,4,6,8,17H2,(H,18,19).
What are the key properties of N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide?
N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide has a molecular weight of 290.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 70985461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).