(E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide

C24H18N2O3S — CID 17314022

IUPAC(E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1c(O)ccc2ccccc12
InChIInChI=1S/C24H18N2O3S/c27-20-13-10-16-6-4-5-9-19(16)23(20)26-24(30)25-22(28)15-12-18-11-14-21(29-18)17-7-2-1-3-8-17/h1-15,27H,(H2,25,26,28,30)/b15-12+
InChIKeyFLLJFTZGAZNJHM-NTCAYCPXSA-N
MW414.49 g/mol
LogP5.33
Rot. Bonds4

About (E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide

(E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide (PubChem CID 17314022) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is (E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
PubChem CID17314022
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC Name(E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1c(O)ccc2ccccc12
InChIInChI=1S/C24H18N2O3S/c27-20-13-10-16-6-4-5-9-19(16)23(20)26-24(30)25-22(28)15-12-18-11-14-21(29-18)17-7-2-1-3-8-17/h1-15,27H,(H2,25,26,28,30)/b15-12+
InChIKeyFLLJFTZGAZNJHM-NTCAYCPXSA-N
XLogP5.33
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]prop-2-enamide
CID 22782307
(E)-N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 137153635
(E)-N-[(4-bromo-2-methylphenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274464
4-tert-butyl-N-[4-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 17274324
(E)-N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17336319
(E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274359
N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 71951984
(E)-N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17336300
2-methyl-N-[3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 17274764
(E)-N-[(2-methyl-3-nitrophenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17099085
3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-methylphenyl)carbamothioyl]prop-2-enamide
CID 3882176
N-tert-butyl-3-chloro-7-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]-1-benzothiophene-2-carboxamide
CID 17274752

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide (CID 17314022) is (E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide is O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1c(O)ccc2ccccc12.
What is the InChIKey of (E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
The InChIKey is FLLJFTZGAZNJHM-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H18N2O3S/c27-20-13-10-16-6-4-5-9-19(16)23(20)26-24(30)25-22(28)15-12-18-11-14-21(29-18)17-7-2-1-3-8-17/h1-15,27H,(H2,25,26,28,30)/b15-12+.
What are the key properties of (E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide?
(E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide has a molecular weight of 414.49 g/mol, XLogP of 5.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-hydroxynaphthalen-1-yl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 17314022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).