1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

C14H15N3O3S — CID 5017921

IUPAC1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3S/c1-10(9-13-3-2-8-21-13)15-14(18)16-11-4-6-12(7-5-11)17(19)20/h2-8,10H,9H2,1H3,(H2,15,16,18)
InChIKeyQPAGAQRWIDYNBG-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.41
Rot. Bonds5

About 1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 5017921) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
PubChem CID5017921
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3S/c1-10(9-13-3-2-8-21-13)15-14(18)16-11-4-6-12(7-5-11)17(19)20/h2-8,10H,9H2,1H3,(H2,15,16,18)
InChIKeyQPAGAQRWIDYNBG-UHFFFAOYSA-N
XLogP3.41
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (CID 5017921) is 1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is CC(Cc1cccs1)NC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is QPAGAQRWIDYNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10(9-13-3-2-8-21-13)15-14(18)16-11-4-6-12(7-5-11)17(19)20/h2-8,10H,9H2,1H3,(H2,15,16,18).
What are the key properties of 1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 305.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 5017921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).