1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea

C20H23N3OS — CID 2972714

IUPAC1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
SMILESCOc1ccc2[nH]cc(CCNC(=S)NCCc3ccccc3)c2c1
InChIInChI=1S/C20H23N3OS/c1-24-17-7-8-19-18(13-17)16(14-23-19)10-12-22-20(25)21-11-9-15-5-3-2-4-6-15/h2-8,13-14,23H,9-12H2,1H3,(H2,21,22,25)
InChIKeyASWHNECUYSRBIM-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.43
Rot. Bonds7

About 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea (PubChem CID 2972714) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
PubChem CID2972714
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
SMILESCOc1ccc2[nH]cc(CCNC(=S)NCCc3ccccc3)c2c1
InChIInChI=1S/C20H23N3OS/c1-24-17-7-8-19-18(13-17)16(14-23-19)10-12-22-20(25)21-11-9-15-5-3-2-4-6-15/h2-8,13-14,23H,9-12H2,1H3,(H2,21,22,25)
InChIKeyASWHNECUYSRBIM-UHFFFAOYSA-N
XLogP3.43
TPSA49.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.43
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

N-[(5-methoxy-1H-indol-3-yl)methyl]-2-phenylethanamine
CID 25219438
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
1-(2,5-dimethoxyphenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]thiourea
CID 17272233
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[(5-methoxy-1H-indol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 53274281
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
2-(3-methoxyphenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733827
1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 17171258
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea (CID 2972714) is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea is COc1ccc2[nH]cc(CCNC(=S)NCCc3ccccc3)c2c1.
What is the InChIKey of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea?
The InChIKey is ASWHNECUYSRBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-24-17-7-8-19-18(13-17)16(14-23-19)10-12-22-20(25)21-11-9-15-5-3-2-4-6-15/h2-8,13-14,23H,9-12H2,1H3,(H2,21,22,25).
What are the key properties of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea?
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea has a molecular weight of 353.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 2972714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).