N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide

C16H17FN2OS — CID 62842115

IUPACN-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC2CCCc3sccc32)c1
InChIInChI=1S/C16H17FN2OS/c1-10(20)18-11-5-6-13(17)15(9-11)19-14-3-2-4-16-12(14)7-8-21-16/h5-9,14,19H,2-4H2,1H3,(H,18,20)
InChIKeyGUJPLVWFIMOUKN-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.34
Rot. Bonds3

About N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide

N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide (PubChem CID 62842115) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide
PubChem CID62842115
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC NameN-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC2CCCc3sccc32)c1
InChIInChI=1S/C16H17FN2OS/c1-10(20)18-11-5-6-13(17)15(9-11)19-14-3-2-4-16-12(14)7-8-21-16/h5-9,14,19H,2-4H2,1H3,(H,18,20)
InChIKeyGUJPLVWFIMOUKN-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840387
1-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanone
CID 114468225
N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide
CID 43672603
N-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122390
methyl 4-fluoro-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoate
CID 62841436
methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate
CID 62841091
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoic acid
CID 62841761
N-(3-fluoro-2-iodophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114258382
N-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840365
N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide
CID 82687102
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
5-amino-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62840249

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide (CID 62842115) is N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide is CC(=O)Nc1ccc(F)c(NC2CCCc3sccc32)c1.
What is the InChIKey of N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide?
The InChIKey is GUJPLVWFIMOUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-10(20)18-11-5-6-13(17)15(9-11)19-14-3-2-4-16-12(14)7-8-21-16/h5-9,14,19H,2-4H2,1H3,(H,18,20).
What are the key properties of N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide?
N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]acetamide is sourced from PubChem (CID 62842115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).