1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea

C23H23N3OS — CID 71843856

IUPAC1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea
SMILESCCn1c(-c2cccs2)c(CNC(=O)Nc2cccc(C)c2)c2ccccc21
InChIInChI=1S/C23H23N3OS/c1-3-26-20-11-5-4-10-18(20)19(22(26)21-12-7-13-28-21)15-24-23(27)25-17-9-6-8-16(2)14-17/h4-14H,3,15H2,1-2H3,(H2,24,25,27)
InChIKeyOLVKWGJFGLSIRO-UHFFFAOYSA-N
MW389.52 g/mol
LogP6.02
Rot. Bonds5

About 1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea

1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea (PubChem CID 71843856) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea
PubChem CID71843856
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea
SMILESCCn1c(-c2cccs2)c(CNC(=O)Nc2cccc(C)c2)c2ccccc21
InChIInChI=1S/C23H23N3OS/c1-3-26-20-11-5-4-10-18(20)19(22(26)21-12-7-13-28-21)15-24-23(27)25-17-9-6-8-16(2)14-17/h4-14H,3,15H2,1-2H3,(H2,24,25,27)
InChIKeyOLVKWGJFGLSIRO-UHFFFAOYSA-N
XLogP6.02
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 53049786
1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-fluoro-4-methylphenyl)urea
CID 53049783
1-(3-chloro-4-fluorophenyl)-3-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]urea
CID 53049778
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]urea
CID 45106630
1-benzyl-3-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]urea
CID 45106634
1-(2,4-difluorophenyl)-3-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]urea
CID 71843841
methyl 3-[(1-benzyl-2-thiophen-2-ylindol-3-yl)methylcarbamoylamino]benzoate
CID 53049834
ethyl 3-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methylcarbamoylamino]propanoate
CID 71843825
1-[(1-benzyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 53049817
1-[(1-benzyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-chloro-2-methylphenyl)urea
CID 53049813
methyl 2-[(1-methyl-2-thiophen-2-ylindol-3-yl)methylcarbamoylamino]benzoate
CID 71843928
1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde
CID 50742346

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea (CID 71843856) is 1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea is CCn1c(-c2cccs2)c(CNC(=O)Nc2cccc(C)c2)c2ccccc21.
What is the InChIKey of 1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea?
The InChIKey is OLVKWGJFGLSIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-3-26-20-11-5-4-10-18(20)19(22(26)21-12-7-13-28-21)15-24-23(27)25-17-9-6-8-16(2)14-17/h4-14H,3,15H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea?
1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea has a molecular weight of 389.52 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 71843856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).