1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea

C16H19N3OS — CID 72719297

IUPAC1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea
SMILESO=C(NCC1CCCN1c1ccccc1)Nc1cccs1
InChIInChI=1S/C16H19N3OS/c20-16(18-15-9-5-11-21-15)17-12-14-8-4-10-19(14)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2,(H2,17,18,20)
InChIKeyONNQBHOVTWFHPR-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.54
Rot. Bonds4

About 1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea

1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea (PubChem CID 72719297) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea
PubChem CID72719297
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea
SMILESO=C(NCC1CCCN1c1ccccc1)Nc1cccs1
InChIInChI=1S/C16H19N3OS/c20-16(18-15-9-5-11-21-15)17-12-14-8-4-10-19(14)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2,(H2,17,18,20)
InChIKeyONNQBHOVTWFHPR-UHFFFAOYSA-N
XLogP3.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea (CID 72719297) is 1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea is O=C(NCC1CCCN1c1ccccc1)Nc1cccs1.
What is the InChIKey of 1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea?
The InChIKey is ONNQBHOVTWFHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(18-15-9-5-11-21-15)17-12-14-8-4-10-19(14)13-6-2-1-3-7-13/h1-3,5-7,9,11,14H,4,8,10,12H2,(H2,17,18,20).
What are the key properties of 1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea?
1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea has a molecular weight of 301.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 72719297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).