N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide

C22H25NO2S — CID 3838226

IUPACN-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(=O)N(CCC(c1ccc(C)cc1)c1ccco1)C(C)c1cccs1
InChIInChI=1S/C22H25NO2S/c1-16-8-10-19(11-9-16)20(21-6-4-14-25-21)12-13-23(18(3)24)17(2)22-7-5-15-26-22/h4-11,14-15,17,20H,12-13H2,1-3H3
InChIKeyIOHZRYDGQFPHSM-UHFFFAOYSA-N
MW367.51 g/mol
LogP5.78
Rot. Bonds7

About N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide

N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 3838226) has the molecular formula C22H25NO2S and a molecular weight of 367.51 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID3838226
Molecular FormulaC22H25NO2S
Molecular Weight367.51 g/mol
Exact Mass367.16
IUPAC NameN-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(=O)N(CCC(c1ccc(C)cc1)c1ccco1)C(C)c1cccs1
InChIInChI=1S/C22H25NO2S/c1-16-8-10-19(11-9-16)20(21-6-4-14-25-21)12-13-23(18(3)24)17(2)22-7-5-15-26-22/h4-11,14-15,17,20H,12-13H2,1-3H3
InChIKeyIOHZRYDGQFPHSM-UHFFFAOYSA-N
XLogP5.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.51
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 948883
3-(furan-2-yl)-3-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 3366871
[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7411959
1-(furan-2-yl)-3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-one
CID 23824722
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 2022429
N-benzyl-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
CID 2938663
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4553376
3-(4-methylphenyl)-3-thiophen-2-ylpropan-1-ol
CID 82082551
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-2-oxo-2-thiophen-2-ylacetamide
CID 2047970
N-[2-[(4S)-2,2-dimethyl-4-propan-2-yloxan-4-yl]ethyl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7714420
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 94017330

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide (CID 3838226) is N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide is CC(=O)N(CCC(c1ccc(C)cc1)c1ccco1)C(C)c1cccs1.
What is the InChIKey of N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is IOHZRYDGQFPHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2S/c1-16-8-10-19(11-9-16)20(21-6-4-14-25-21)12-13-23(18(3)24)17(2)22-7-5-15-26-22/h4-11,14-15,17,20H,12-13H2,1-3H3.
What are the key properties of N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide?
N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 367.51 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 3838226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).