(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine

C20H23NOS — CID 948883

IUPAC(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCc1ccc([C@H](CCN[C@H](C)c2cccs2)c2ccco2)cc1
InChIInChI=1S/C20H23NOS/c1-15-7-9-17(10-8-15)18(19-5-3-13-22-19)11-12-21-16(2)20-6-4-14-23-20/h3-10,13-14,16,18,21H,11-12H2,1-2H3/t16-,18+/m1/s1
InChIKeyJFDCWISCXVUYIG-AEFFLSMTSA-N
MW325.48 g/mol
LogP5.52
Rot. Bonds7

About (3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine

(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine (PubChem CID 948883) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
PubChem CID948883
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
SMILESCc1ccc([C@H](CCN[C@H](C)c2cccs2)c2ccco2)cc1
InChIInChI=1S/C20H23NOS/c1-15-7-9-17(10-8-15)18(19-5-3-13-22-19)11-12-21-16(2)20-6-4-14-23-20/h3-10,13-14,16,18,21H,11-12H2,1-2H3/t16-,18+/m1/s1
InChIKeyJFDCWISCXVUYIG-AEFFLSMTSA-N
XLogP5.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.48
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine 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

3-(furan-2-yl)-3-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 3366871
N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 2928642
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 2022429
[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7411959
3-(furan-2-yl)-3-phenyl-N-(1-phenylethyl)propan-1-amine
CID 3724018
N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 3838226
1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 23824722
(3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 156579514
1-(furan-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399156
4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentan-1-amine
CID 83156028
N'-(furan-2-ylmethyl)-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62560949
1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of (3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine (CID 948883) is (3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for (3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for (3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine is Cc1ccc([C@H](CCN[C@H](C)c2cccs2)c2ccco2)cc1.
What is the InChIKey of (3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is JFDCWISCXVUYIG-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H23NOS/c1-15-7-9-17(10-8-15)18(19-5-3-13-22-19)11-12-21-16(2)20-6-4-14-23-20/h3-10,13-14,16,18,21H,11-12H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of (3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine?
(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 325.48 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 948883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).