1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

C19H24N4OS — CID 71780322

IUPAC1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCN(C)C(CNC(=O)NCc1cccs1)c1cn(C)c2ccccc12
InChIInChI=1S/C19H24N4OS/c1-22(2)18(12-21-19(24)20-11-14-7-6-10-25-14)16-13-23(3)17-9-5-4-8-15(16)17/h4-10,13,18H,11-12H2,1-3H3,(H2,20,21,24)
InChIKeyZBJVMTJSKLWTIG-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.34
Rot. Bonds6

About 1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 71780322) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID71780322
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCN(C)C(CNC(=O)NCc1cccs1)c1cn(C)c2ccccc12
InChIInChI=1S/C19H24N4OS/c1-22(2)18(12-21-19(24)20-11-14-7-6-10-25-14)16-13-23(3)17-9-5-4-8-15(16)17/h4-10,13,18H,11-12H2,1-3H3,(H2,20,21,24)
InChIKeyZBJVMTJSKLWTIG-UHFFFAOYSA-N
XLogP3.34
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea (CID 71780322) is 1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is CN(C)C(CNC(=O)NCc1cccs1)c1cn(C)c2ccccc12.
What is the InChIKey of 1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is ZBJVMTJSKLWTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-22(2)18(12-21-19(24)20-11-14-7-6-10-25-14)16-13-23(3)17-9-5-4-8-15(16)17/h4-10,13,18H,11-12H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 356.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 71780322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).