1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea

C24H23N3OS — CID 3647225

IUPAC1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NCC(c2ccccc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H23N3OS/c1-28-19-11-7-10-18(14-19)27-24(29)26-15-21(17-8-3-2-4-9-17)22-16-25-23-13-6-5-12-20(22)23/h2-14,16,21,25H,15H2,1H3,(H2,26,27,29)
InChIKeyBXZJAMZEANOMNI-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.30
Rot. Bonds6

About 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea

1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea (PubChem CID 3647225) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea
PubChem CID3647225
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)NCC(c2ccccc2)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H23N3OS/c1-28-19-11-7-10-18(14-19)27-24(29)26-15-21(17-8-3-2-4-9-17)22-16-25-23-13-6-5-12-20(22)23/h2-14,16,21,25H,15H2,1H3,(H2,26,27,29)
InChIKeyBXZJAMZEANOMNI-UHFFFAOYSA-N
XLogP5.30
TPSA49.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8766523
1-[2,2-bis(1H-indol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)thiourea
CID 172694399
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
1-[2,2-bis(1H-indol-3-yl)ethyl]-3-(4-fluorophenyl)thiourea
CID 172720447
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 7774673
1-butyl-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]thiourea
CID 2108617
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
1-(3-fluorophenyl)-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]urea
CID 92892940
1-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methylsulfanylphenyl)urea
CID 92876044
1-(2,4-dimethoxyphenyl)-3-[(2R)-2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]urea
CID 92875953
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea (CID 3647225) is 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)NCC(c2ccccc2)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea?
The InChIKey is BXZJAMZEANOMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-28-19-11-7-10-18(14-19)27-24(29)26-15-21(17-8-3-2-4-9-17)22-16-25-23-13-6-5-12-20(22)23/h2-14,16,21,25H,15H2,1H3,(H2,26,27,29).
What are the key properties of 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea?
1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea has a molecular weight of 401.54 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 3647225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).