1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea

C19H20N2OS2 — CID 9096380

IUPAC1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea
SMILESCCc1ccc([C@H](NC(=S)NCc2ccco2)c2cccs2)cc1
InChIInChI=1S/C19H20N2OS2/c1-2-14-7-9-15(10-8-14)18(17-6-4-12-24-17)21-19(23)20-13-16-5-3-11-22-16/h3-12,18H,2,13H2,1H3,(H2,20,21,23)/t18-/m0/s1
InChIKeyDNZCDADZRMCHNE-SFHVURJKSA-N
MW356.52 g/mol
LogP4.66
Rot. Bonds6

About 1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea

1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea (PubChem CID 9096380) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea
PubChem CID9096380
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC Name1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea
SMILESCCc1ccc([C@H](NC(=S)NCc2ccco2)c2cccs2)cc1
InChIInChI=1S/C19H20N2OS2/c1-2-14-7-9-15(10-8-14)18(17-6-4-12-24-17)21-19(23)20-13-16-5-3-11-22-16/h3-12,18H,2,13H2,1H3,(H2,20,21,23)/t18-/m0/s1
InChIKeyDNZCDADZRMCHNE-SFHVURJKSA-N
XLogP4.66
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 46449917
3-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]carbamothioylamino]propyl-dimethylazanium
CID 9096422
1-[3-(dimethylamino)propyl]-3-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]thiourea
CID 9096426
1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 9096355
1-[(4-methoxyphenyl)methyl]-3-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]thiourea
CID 9283736
N'-[2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)oxamide
CID 40803903
N-(furan-2-ylmethyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8867058
1-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-propylthiourea
CID 9283722
(3R)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanamide
CID 26006921
N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 108510944
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 7944842
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea (CID 9096380) is 1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea is CCc1ccc([C@H](NC(=S)NCc2ccco2)c2cccs2)cc1.
What is the InChIKey of 1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea?
The InChIKey is DNZCDADZRMCHNE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2OS2/c1-2-14-7-9-15(10-8-14)18(17-6-4-12-24-17)21-19(23)20-13-16-5-3-11-22-16/h3-12,18H,2,13H2,1H3,(H2,20,21,23)/t18-/m0/s1.
What are the key properties of 1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea?
1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea has a molecular weight of 356.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 9096380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).