1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea

C16H17N3O2S — CID 60569804

IUPAC1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
SMILESCC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccs1
InChIInChI=1S/C16H17N3O2S/c1-11(2)21-15-6-5-12(9-17)8-14(15)19-16(20)18-10-13-4-3-7-22-13/h3-8,11H,10H2,1-2H3,(H2,18,19,20)
InChIKeyJOYMEKJDIXYJRP-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.73
Rot. Bonds5

About 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea

1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 60569804) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID60569804
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
SMILESCC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccs1
InChIInChI=1S/C16H17N3O2S/c1-11(2)21-15-6-5-12(9-17)8-14(15)19-16(20)18-10-13-4-3-7-22-13/h3-8,11H,10H2,1-2H3,(H2,18,19,20)
InChIKeyJOYMEKJDIXYJRP-UHFFFAOYSA-N
XLogP3.73
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 60569654
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 71198394
2-(2-chloro-4-cyanophenoxy)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9380947
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea
CID 75398088
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
5-(5-cyano-2-propan-2-yloxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47704156
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
methyl (2S)-3-methyl-2-(thiophen-2-ylmethylcarbamoylamino)butanoate
CID 663465
N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86834751
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
1-[(4-cyanophenyl)methyl]-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 47172039

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea (CID 60569804) is 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea is CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1cccs1.
What is the InChIKey of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is JOYMEKJDIXYJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11(2)21-15-6-5-12(9-17)8-14(15)19-16(20)18-10-13-4-3-7-22-13/h3-8,11H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea?
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 315.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 60569804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).