N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide

C20H21NO2S — CID 46449917

IUPACN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
SMILESCCc1ccc(C(NC(=O)CCc2ccco2)c2cccs2)cc1
InChIInChI=1S/C20H21NO2S/c1-2-15-7-9-16(10-8-15)20(18-6-4-14-24-18)21-19(22)12-11-17-5-3-13-23-17/h3-10,13-14,20H,2,11-12H2,1H3,(H,21,22)
InChIKeyYLHHUAOFOTZRDQ-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.74
Rot. Bonds7

About N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide

N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide (PubChem CID 46449917) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
PubChem CID46449917
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
SMILESCCc1ccc(C(NC(=O)CCc2ccco2)c2cccs2)cc1
InChIInChI=1S/C20H21NO2S/c1-2-15-7-9-16(10-8-15)20(18-6-4-14-24-18)21-19(22)12-11-17-5-3-13-23-17/h3-10,13-14,20H,2,11-12H2,1H3,(H,21,22)
InChIKeyYLHHUAOFOTZRDQ-UHFFFAOYSA-N
XLogP4.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 25398079
3-(furan-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 43005308
1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea
CID 9096380
3-(1,3-benzodioxol-5-yl)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]propanamide
CID 36614749
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
(3R)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanamide
CID 26006921
1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide
CID 55397699
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 17403858
N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide
CID 40803903
3-(4-methoxyphenyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 8854024
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7669917
(3S)-3-(carbamoylamino)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 41306258

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide (CID 46449917) is N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide is CCc1ccc(C(NC(=O)CCc2ccco2)c2cccs2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide?
The InChIKey is YLHHUAOFOTZRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-2-15-7-9-16(10-8-15)20(18-6-4-14-24-18)21-19(22)12-11-17-5-3-13-23-17/h3-10,13-14,20H,2,11-12H2,1H3,(H,21,22).
What are the key properties of N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide?
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide has a molecular weight of 339.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 46449917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).