1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea

C23H24N2OS — CID 6958648

IUPAC1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)N[C@H](Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2OS/c1-2-26-21-15-13-20(14-16-21)24-23(27)25-22(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3,(H2,24,25,27)/t22-/m1/s1
InChIKeyDTTHRUFYGCMDQT-JOCHJYFZSA-N
MW376.53 g/mol
LogP5.36
Rot. Bonds7

About 1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea

1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea (PubChem CID 6958648) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea
PubChem CID6958648
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)N[C@H](Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2OS/c1-2-26-21-15-13-20(14-16-21)24-23(27)25-22(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3,(H2,24,25,27)/t22-/m1/s1
InChIKeyDTTHRUFYGCMDQT-JOCHJYFZSA-N
XLogP5.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.36
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-[(1S)-1-phenylpropyl]urea
CID 40635808
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(4-ethoxyphenyl)thiourea
CID 7943967
1,3-bis(4-ethoxyphenyl)thiourea;dibenzylalumane
CID 173455048
1,3-bis(4-ethoxyphenyl)thiourea;dysprosium
CID 88592955
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1,3-bis(4-ethoxyphenyl)thiourea;neodymium
CID 87072028
1-[(2,2-diphenylacetyl)amino]-3-(4-ethoxyphenyl)thiourea
CID 40631596
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide
CID 7375064
1-(4-ethoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]thiourea
CID 100655920
1-(4-ethoxyphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684433
1-[4-(difluoromethoxy)phenyl]-3-[(1S)-1-phenylbutyl]thiourea
CID 9231601
1-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-3-(4-ethoxyphenyl)thiourea
CID 100747354

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea?
The IUPAC name of 1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea (CID 6958648) is 1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea?
The canonical SMILES for 1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea is CCOc1ccc(NC(=S)N[C@H](Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea?
The InChIKey is DTTHRUFYGCMDQT-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-2-26-21-15-13-20(14-16-21)24-23(27)25-22(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3,(H2,24,25,27)/t22-/m1/s1.
What are the key properties of 1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea?
1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea has a molecular weight of 376.53 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea is sourced from PubChem (CID 6958648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).