1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea

C18H21N3OS — CID 56528070

IUPAC1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea
SMILESCC(C)Cn1ccc2cc(NC(=O)NCc3ccsc3)ccc21
InChIInChI=1S/C18H21N3OS/c1-13(2)11-21-7-5-15-9-16(3-4-17(15)21)20-18(22)19-10-14-6-8-23-12-14/h3-9,12-13H,10-11H2,1-2H3,(H2,19,20,22)
InChIKeyPLCOEAHZCVUXOD-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.68
Rot. Bonds5

About 1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea

1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea (PubChem CID 56528070) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea
PubChem CID56528070
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea
SMILESCC(C)Cn1ccc2cc(NC(=O)NCc3ccsc3)ccc21
InChIInChI=1S/C18H21N3OS/c1-13(2)11-21-7-5-15-9-16(3-4-17(15)21)20-18(22)19-10-14-6-8-23-12-14/h3-9,12-13H,10-11H2,1-2H3,(H2,19,20,22)
InChIKeyPLCOEAHZCVUXOD-UHFFFAOYSA-N
XLogP4.68
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 56527610
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 111976911
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 51134217
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56528086
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 55173709
1-(3-bromo-4-methylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 78874516
1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 60765071
2-hydroxy-N-[1-(2-methylpropyl)indol-5-yl]cyclopentane-1-carboxamide
CID 110014325
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527654

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea (CID 56528070) is 1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea is CC(C)Cn1ccc2cc(NC(=O)NCc3ccsc3)ccc21.
What is the InChIKey of 1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea?
The InChIKey is PLCOEAHZCVUXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-13(2)11-21-7-5-15-9-16(3-4-17(15)21)20-18(22)19-10-14-6-8-23-12-14/h3-9,12-13H,10-11H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea?
1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea has a molecular weight of 327.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 56528070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).