1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea

C16H17N3O2S — CID 71788720

IUPAC1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea
SMILESCn1cc(C(O)CNC(=O)Nc2cccs2)c2ccccc21
InChIInChI=1S/C16H17N3O2S/c1-19-10-12(11-5-2-3-6-13(11)19)14(20)9-17-16(21)18-15-7-4-8-22-15/h2-8,10,14,20H,9H2,1H3,(H2,17,18,21)
InChIKeyVEJHAJLSCZCLMP-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.09
Rot. Bonds4

About 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea

1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea (PubChem CID 71788720) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea
PubChem CID71788720
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea
SMILESCn1cc(C(O)CNC(=O)Nc2cccs2)c2ccccc21
InChIInChI=1S/C16H17N3O2S/c1-19-10-12(11-5-2-3-6-13(11)19)14(20)9-17-16(21)18-15-7-4-8-22-15/h2-8,10,14,20H,9H2,1H3,(H2,17,18,21)
InChIKeyVEJHAJLSCZCLMP-UHFFFAOYSA-N
XLogP3.09
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea (CID 71788720) is 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea is Cn1cc(C(O)CNC(=O)Nc2cccs2)c2ccccc21.
What is the InChIKey of 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea?
The InChIKey is VEJHAJLSCZCLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-19-10-12(11-5-2-3-6-13(11)19)14(20)9-17-16(21)18-15-7-4-8-22-15/h2-8,10,14,20H,9H2,1H3,(H2,17,18,21).
What are the key properties of 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea?
1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea has a molecular weight of 315.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 71788720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).