1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

C14H15ClN2OS — CID 3613601

IUPAC1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2OS/c1-10(8-13-6-3-7-19-13)16-14(18)17-12-5-2-4-11(15)9-12/h2-7,9-10H,8H2,1H3,(H2,16,17,18)
InChIKeyWYTZPPYIYYIKAR-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.15
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea

1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 3613601) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
PubChem CID3613601
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(Cc1cccs1)NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2OS/c1-10(8-13-6-3-7-19-13)16-14(18)17-12-5-2-4-11(15)9-12/h2-7,9-10H,8H2,1H3,(H2,16,17,18)
InChIKeyWYTZPPYIYYIKAR-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 800646
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CID 892696
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CID 970626
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CID 2257886
1-Phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2998480
N-(2-chlorophenyl)-N'-thien-2-ylurea
CID 3238296
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CID 3600113
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CID 3639889

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea (CID 3613601) is 1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is CC(Cc1cccs1)NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is WYTZPPYIYYIKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-10(8-13-6-3-7-19-13)16-14(18)17-12-5-2-4-11(15)9-12/h2-7,9-10H,8H2,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea?
1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 294.81 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 3613601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).