N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine

C26H33NOS2 — CID 71503053

IUPACN-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCSc1ccc(C(c2ccc(OCCN(C(C)C)C(C)C)cc2)c2cccs2)cc1
InChIInChI=1S/C26H33NOS2/c1-19(2)27(20(3)4)16-17-28-23-12-8-21(9-13-23)26(25-7-6-18-30-25)22-10-14-24(29-5)15-11-22/h6-15,18-20,26H,16-17H2,1-5H3
InChIKeyOCOBTQCCDOWYJA-UHFFFAOYSA-N
MW439.69 g/mol
LogP7.15
Rot. Bonds10

About N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 71503053) has the molecular formula C26H33NOS2 and a molecular weight of 439.69 g/mol. Its IUPAC name is N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID71503053
Molecular FormulaC26H33NOS2
Molecular Weight439.69 g/mol
Exact Mass439.20
IUPAC NameN-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCSc1ccc(C(c2ccc(OCCN(C(C)C)C(C)C)cc2)c2cccs2)cc1
InChIInChI=1S/C26H33NOS2/c1-19(2)27(20(3)4)16-17-28-23-12-8-21(9-13-23)26(25-7-6-18-30-25)22-10-14-24(29-5)15-11-22/h6-15,18-20,26H,16-17H2,1-5H3
InChIKeyOCOBTQCCDOWYJA-UHFFFAOYSA-N
XLogP7.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.69
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-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

(S)-2-((4-(4-(thiophen-3-yl)phenoxy)phenoxy)methyl)piperidine
CID 46888240
1-[2-(4-Thiophen-3-ylmethyl-phenoxy)-ethyl]-pyrrolidine
CID 10708447
{Methyl-[2-(3-thiophen-2-yl-biphenyl-4-yloxy)-ethyl]-amino}-acetic acid
CID 11405950
{Methyl-[2-(3-thiophen-3-yl-biphenyl-4-yloxy)-ethyl]-amino}-acetic acid
CID 44444276
2-[4-[2-(3-Methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl-dimethyl-amine
CID 44202272
2-[4-[2-(4-Methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl-dimethyl-amine
CID 44202275
Dimethyl-[2-[4-[2-(3-thienyl)benzothiophen-3-yl]phenoxy]ethyl]amine
CID 44202260
Dimethyl-[2-[4-(2-phenylbenzothiophen-3-yl)phenoxy]ethyl]amine
CID 44202268
4-[2-[4-[2-(4-Methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]morpholine
CID 44202274
{Methyl-[2-(3-thiophen-2-ylmethyl-biphenyl-4-yloxy)-ethyl]-amino}-acetic acid
CID 44444258
2-[2-[4-(4-Methoxy-3-methylphenyl)-2-thiophen-2-ylphenoxy]ethyl-methylamino]acetic acid
CID 44444287
Dimethyl-{2-[4-(4-thiophen-2-yl-2,3-dihydrobenzo[b]oxepin-5-yl)-phenoxy]-ethyl}-amine
CID 44590138

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine (CID 71503053) is N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine is CSc1ccc(C(c2ccc(OCCN(C(C)C)C(C)C)cc2)c2cccs2)cc1.
What is the InChIKey of N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is OCOBTQCCDOWYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NOS2/c1-19(2)27(20(3)4)16-17-28-23-12-8-21(9-13-23)26(25-7-6-18-30-25)22-10-14-24(29-5)15-11-22/h6-15,18-20,26H,16-17H2,1-5H3.
What are the key properties of N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 439.69 g/mol, XLogP of 7.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 71503053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).