N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide

C16H19N3O4S — CID 856866

IUPACN-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide
SMILESCCNC(=S)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC
InChIInChI=1S/C16H19N3O4S/c1-4-17-16(24)19-11-9-13(21-2)10(8-14(11)22-3)18-15(20)12-6-5-7-23-12/h5-9H,4H2,1-3H3,(H,18,20)(H2,17,19,24)
InChIKeyOKVHGTZAJHLPKZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.86
Rot. Bonds6

About N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide

N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide (PubChem CID 856866) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide
PubChem CID856866
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide
SMILESCCNC(=S)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC
InChIInChI=1S/C16H19N3O4S/c1-4-17-16(24)19-11-9-13(21-2)10(8-14(11)22-3)18-15(20)12-6-5-7-23-12/h5-9H,4H2,1-3H3,(H,18,20)(H2,17,19,24)
InChIKeyOKVHGTZAJHLPKZ-UHFFFAOYSA-N
XLogP2.86
TPSA84.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide (CID 856866) is N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide is CCNC(=S)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC.
What is the InChIKey of N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide?
The InChIKey is OKVHGTZAJHLPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-4-17-16(24)19-11-9-13(21-2)10(8-14(11)22-3)18-15(20)12-6-5-7-23-12/h5-9H,4H2,1-3H3,(H,18,20)(H2,17,19,24).
What are the key properties of N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide?
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 856866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).