1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea

C17H19N3O2S — CID 18582459

IUPAC1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea
SMILESCOCCn1cc(NC(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-22-9-8-20-12-15(14-6-2-3-7-16(14)20)19-17(21)18-11-13-5-4-10-23-13/h2-7,10,12H,8-9,11H2,1H3,(H2,18,19,21)
InChIKeyASFVARVHIGPSMH-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.67
Rot. Bonds6

About 1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea

1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 18582459) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea
PubChem CID18582459
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea
SMILESCOCCn1cc(NC(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C17H19N3O2S/c1-22-9-8-20-12-15(14-6-2-3-7-16(14)20)19-17(21)18-11-13-5-4-10-23-13/h2-7,10,12H,8-9,11H2,1H3,(H2,18,19,21)
InChIKeyASFVARVHIGPSMH-UHFFFAOYSA-N
XLogP3.67
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519801
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519808
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764
ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate
CID 40519874
N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide
CID 18582430
4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 40519785
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863
2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 15995298
1-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 97416736
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 18582437

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea (CID 18582459) is 1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea is COCCn1cc(NC(=O)NCc2cccs2)c2ccccc21.
What is the InChIKey of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ASFVARVHIGPSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-22-9-8-20-12-15(14-6-2-3-7-16(14)20)19-17(21)18-11-13-5-4-10-23-13/h2-7,10,12H,8-9,11H2,1H3,(H2,18,19,21).
What are the key properties of 1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea?
1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 329.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 18582459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).