1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea

C24H26N2OS2 — CID 100652076

IUPAC1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
SMILESCC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C24H26N2OS2/c1-3-23(19-11-15-21(27-2)16-12-19)26-24(28)25-20-13-9-18(10-14-20)17-29-22-7-5-4-6-8-22/h4-16,23H,3,17H2,1-2H3,(H2,25,26,28)/t23-/m1/s1
InChIKeyGZVKZHZPZOBGMC-HSZRJFAPSA-N
MW422.62 g/mol
LogP6.43
Rot. Bonds8

About 1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea

1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea (PubChem CID 100652076) has the molecular formula C24H26N2OS2 and a molecular weight of 422.62 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
PubChem CID100652076
Molecular FormulaC24H26N2OS2
Molecular Weight422.62 g/mol
Exact Mass422.15
IUPAC Name1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
SMILESCC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C24H26N2OS2/c1-3-23(19-11-15-21(27-2)16-12-19)26-24(28)25-20-13-9-18(10-14-20)17-29-22-7-5-4-6-8-22/h4-16,23H,3,17H2,1-2H3,(H2,25,26,28)/t23-/m1/s1
InChIKeyGZVKZHZPZOBGMC-HSZRJFAPSA-N
XLogP6.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(4-methylphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100650455
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100733914
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100591769
1-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 133215502
1-(4-chlorophenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 92693805
1-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)propyl]thiourea
CID 84955505
1-(4-ethylphenyl)-3-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 100656058
1-[(1S)-1-(4-methoxyphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100652435
1-[1-(3,4-dimethoxyphenyl)propyl]-3-(4-methoxyphenyl)thiourea
CID 133216596
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100646112
1-(3,5-dimethylphenyl)-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218189
1-phenyl-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 1316504

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea?
The IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea (CID 100652076) is 1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea.
What is the SMILES notation for 1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea?
The canonical SMILES for 1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea is CC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea?
The InChIKey is GZVKZHZPZOBGMC-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26N2OS2/c1-3-23(19-11-15-21(27-2)16-12-19)26-24(28)25-20-13-9-18(10-14-20)17-29-22-7-5-4-6-8-22/h4-16,23H,3,17H2,1-2H3,(H2,25,26,28)/t23-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea?
1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea has a molecular weight of 422.62 g/mol, XLogP of 6.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methoxyphenyl)propyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea is sourced from PubChem (CID 100652076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).