N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide

C17H22N2OS — CID 97323196

IUPACN-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC[C@H](C)c2ccsc2)c1
InChIInChI=1S/C17H22N2OS/c1-12(16-7-8-21-11-16)10-18-13(2)15-5-4-6-17(9-15)19-14(3)20/h4-9,11-13,18H,10H2,1-3H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyQJKHZCDCKGKKQP-QWHCGFSZSA-N
MW302.44 g/mol
LogP4.16
Rot. Bonds6

About N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide

N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide (PubChem CID 97323196) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide
PubChem CID97323196
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC[C@H](C)c2ccsc2)c1
InChIInChI=1S/C17H22N2OS/c1-12(16-7-8-21-11-16)10-18-13(2)15-5-4-6-17(9-15)19-14(3)20/h4-9,11-13,18H,10H2,1-3H3,(H,19,20)/t12-,13+/m0/s1
InChIKeyQJKHZCDCKGKKQP-QWHCGFSZSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]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-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide
CID 104584995
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide
CID 86779553
N-[3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 43210210
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide
CID 111444404
2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
CID 60979755
N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 66170692
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[3-[1-[(3-ethoxy-2-hydroxypropyl)amino]ethyl]phenyl]acetamide
CID 63931523

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide (CID 97323196) is N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc([C@@H](C)NC[C@H](C)c2ccsc2)c1.
What is the InChIKey of N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide?
The InChIKey is QJKHZCDCKGKKQP-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(16-7-8-21-11-16)10-18-13(2)15-5-4-6-17(9-15)19-14(3)20/h4-9,11-13,18H,10H2,1-3H3,(H,19,20)/t12-,13+/m0/s1.
What are the key properties of N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide?
N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide has a molecular weight of 302.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 97323196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).