N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide

C17H20N2OS — CID 62841169

IUPACN-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
SMILESCC(NC1CCCc2sccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-12(17(20)19-13-6-3-2-4-7-13)18-15-8-5-9-16-14(15)10-11-21-16/h2-4,6-7,10-12,15,18H,5,8-9H2,1H3,(H,19,20)
InChIKeyKLLFQKJWGILLBF-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.74
Rot. Bonds4

About N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide

N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide (PubChem CID 62841169) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide.

Molecular Properties

Compound NameN-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
PubChem CID62841169
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
SMILESCC(NC1CCCc2sccc21)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-12(17(20)19-13-6-3-2-4-7-13)18-15-8-5-9-16-14(15)10-11-21-16/h2-4,6-7,10-12,15,18H,5,8-9H2,1H3,(H,19,20)
InChIKeyKLLFQKJWGILLBF-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
CID 62840901
N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842628
1-piperidin-1-yl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propan-1-one
CID 62841964
2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]phenol
CID 62841470
methyl 3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butanoate
CID 55121918
N-[(1R)-1-cyclopentylethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81393881
3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)-3-thiophen-2-ylpropanoic acid
CID 62842660
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81376952
2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 103515455
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 55126711
2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-phenylpropanamide
CID 62064676
propan-2-yl N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)carbamate
CID 116655659

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The IUPAC name of N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide (CID 62841169) is N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide.
What is the SMILES notation for N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The canonical SMILES for N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide is CC(NC1CCCc2sccc21)C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
The InChIKey is KLLFQKJWGILLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12(17(20)19-13-6-3-2-4-7-13)18-15-8-5-9-16-14(15)10-11-21-16/h2-4,6-7,10-12,15,18H,5,8-9H2,1H3,(H,19,20).
What are the key properties of N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide?
N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide has a molecular weight of 300.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide is sourced from PubChem (CID 62841169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).