N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide

C20H24N2O3S — CID 17137830

IUPACN-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc(OCCC2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C20H24N2O3S/c23-19(18-7-4-13-25-18)22-20(26)21-16-8-10-17(11-9-16)24-14-12-15-5-2-1-3-6-15/h4,7-11,13,15H,1-3,5-6,12,14H2,(H2,21,22,23,26)
InChIKeyFAPAVAJJOYNZAG-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.76
Rot. Bonds6

About N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide

N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide (PubChem CID 17137830) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide
PubChem CID17137830
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccc(OCCC2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C20H24N2O3S/c23-19(18-7-4-13-25-18)22-20(26)21-16-8-10-17(11-9-16)24-14-12-15-5-2-1-3-6-15/h4,7-11,13,15H,1-3,5-6,12,14H2,(H2,21,22,23,26)
InChIKeyFAPAVAJJOYNZAG-UHFFFAOYSA-N
XLogP4.76
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 17137888
2-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]benzamide
CID 17137849
methyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178646
3,5-dichloro-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]benzamide
CID 17137923
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17137887
(E)-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 17137826
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide
CID 17137899
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide
CID 17137889
3-butan-2-yloxy-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]benzamide
CID 17150169
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]tetradecanamide
CID 54791321
N-cyclohexyl-4-[[4-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 28587936
N-[4-(2-cyclohexylethoxy)phenyl]propanamide
CID 17137644

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide (CID 17137830) is N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1ccc(OCCC2CCCCC2)cc1)c1ccco1.
What is the InChIKey of N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide?
The InChIKey is FAPAVAJJOYNZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-19(18-7-4-13-25-18)22-20(26)21-16-8-10-17(11-9-16)24-14-12-15-5-2-1-3-6-15/h4,7-11,13,15H,1-3,5-6,12,14H2,(H2,21,22,23,26).
What are the key properties of N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide?
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 17137830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).