N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide

C15H16N2O4S — CID 139833837

IUPACN-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
SMILESCOc1cc(NC(=O)C(=S)NCc2ccco2)cc(OC)c1
InChIInChI=1S/C15H16N2O4S/c1-19-12-6-10(7-13(8-12)20-2)17-14(18)15(22)16-9-11-4-3-5-21-11/h3-8H,9H2,1-2H3,(H,16,22)(H,17,18)
InChIKeyYWVMELVJNIOUFV-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.35
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide

N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide (PubChem CID 139833837) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
PubChem CID139833837
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
SMILESCOc1cc(NC(=O)C(=S)NCc2ccco2)cc(OC)c1
InChIInChI=1S/C15H16N2O4S/c1-19-12-6-10(7-13(8-12)20-2)17-14(18)15(22)16-9-11-4-3-5-21-11/h3-8H,9H2,1-2H3,(H,16,22)(H,17,18)
InChIKeyYWVMELVJNIOUFV-UHFFFAOYSA-N
XLogP2.35
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide
CID 670594
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 94272659
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281
N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6379341
2-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 1133386
2-[benzyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 55354188
N-[4-[(3,5-dimethoxyphenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57305477
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108517692
1-N-(furan-2-ylmethyl)-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974663

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide (CID 139833837) is N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide is COc1cc(NC(=O)C(=S)NCc2ccco2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide?
The InChIKey is YWVMELVJNIOUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-19-12-6-10(7-13(8-12)20-2)17-14(18)15(22)16-9-11-4-3-5-21-11/h3-8H,9H2,1-2H3,(H,16,22)(H,17,18).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide?
N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide has a molecular weight of 320.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-2-sulfanylideneacetamide is sourced from PubChem (CID 139833837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).