1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

C20H20N2OS — CID 8657834

IUPAC1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESCOc1ccc(NC(=S)N[C@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H20N2OS/c1-14(18-9-5-7-15-6-3-4-8-19(15)18)21-20(24)22-16-10-12-17(23-2)13-11-16/h3-14H,1-2H3,(H2,21,22,24)/t14-/m1/s1
InChIKeyDKXWEHLEHFDLPT-CQSZACIVSA-N
MW336.46 g/mol
LogP4.90
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea

1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (PubChem CID 8657834) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
PubChem CID8657834
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
SMILESCOc1ccc(NC(=S)N[C@H](C)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H20N2OS/c1-14(18-9-5-7-15-6-3-4-8-19(15)18)21-20(24)22-16-10-12-17(23-2)13-11-16/h3-14H,1-2H3,(H2,21,22,24)/t14-/m1/s1
InChIKeyDKXWEHLEHFDLPT-CQSZACIVSA-N
XLogP4.90
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657836
1-(4-methylphenyl)-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8657829
1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8724827
1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657843
1-(4-methoxyphenyl)-3-propan-2-ylthiourea;sulfane
CID 159797828
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8629092
1-(2,3-dimethylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657853
1-(4-methoxyphenyl)-3-(4-phenylbutan-2-yl)thiourea
CID 19651816
1-[(1S)-1-naphthalen-1-ylethyl]-3-pyridin-2-ylthiourea
CID 3003559
1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea
CID 19675715
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 8629064
1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044684

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea (CID 8657834) is 1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea is COc1ccc(NC(=S)N[C@H](C)c2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
The InChIKey is DKXWEHLEHFDLPT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-14(18-9-5-7-15-6-3-4-8-19(15)18)21-20(24)22-16-10-12-17(23-2)13-11-16/h3-14H,1-2H3,(H2,21,22,24)/t14-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea?
1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea has a molecular weight of 336.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea is sourced from PubChem (CID 8657834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).