(E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide

C20H16N2O2S — CID 6152566

IUPAC(E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(=S)Nc1cccc2cc(O)ccc12
InChIInChI=1S/C20H16N2O2S/c23-16-10-11-17-15(13-16)7-4-8-18(17)21-20(25)22-19(24)12-9-14-5-2-1-3-6-14/h1-13,23H,(H2,21,22,24,25)/b12-9+
InChIKeyHWDVWHCWIJXQQA-FMIVXFBMSA-N
MW348.43 g/mol
LogP4.07
Rot. Bonds3

About (E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide

(E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide (PubChem CID 6152566) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide
PubChem CID6152566
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name(E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC(=S)Nc1cccc2cc(O)ccc12
InChIInChI=1S/C20H16N2O2S/c23-16-10-11-17-15(13-16)7-4-8-18(17)21-20(25)22-19(24)12-9-14-5-2-1-3-6-14/h1-13,23H,(H2,21,22,24,25)/b12-9+
InChIKeyHWDVWHCWIJXQQA-FMIVXFBMSA-N
XLogP4.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxyphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 932766
N-[(2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 786683
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]prop-2-enamide
CID 6112594
N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 884426
(E)-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 884427
(E)-N-[(3-chloro-2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 905189
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
CID 2223320
(E)-N-[(2-methylquinolin-5-yl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17099142
(6-hydroxynaphthalen-1-yl)thiourea
CID 28689410
N-[(2-hydroxyphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 871823
2-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
CID 4772753
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
CID 6210684

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide (CID 6152566) is (E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc2cc(O)ccc12.
What is the InChIKey of (E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide?
The InChIKey is HWDVWHCWIJXQQA-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-16-10-11-17-15(13-16)7-4-8-18(17)21-20(25)22-19(24)12-9-14-5-2-1-3-6-14/h1-13,23H,(H2,21,22,24,25)/b12-9+.
What are the key properties of (E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide?
(E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide has a molecular weight of 348.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 6152566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).