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

C17H19N3O2S — CID 60569654

IUPAC1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESCC(C)Oc1ccc(C#N)cc1NC(=O)NCCc1cccs1
InChIInChI=1S/C17H19N3O2S/c1-12(2)22-16-6-5-13(11-18)10-15(16)20-17(21)19-8-7-14-4-3-9-23-14/h3-6,9-10,12H,7-8H2,1-2H3,(H2,19,20,21)
InChIKeyMRWWZFCEOBNWNR-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.77
Rot. Bonds6

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

1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea (PubChem CID 60569654) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea
PubChem CID60569654
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea
SMILESCC(C)Oc1ccc(C#N)cc1NC(=O)NCCc1cccs1
InChIInChI=1S/C17H19N3O2S/c1-12(2)22-16-6-5-13(11-18)10-15(16)20-17(21)19-8-7-14-4-3-9-23-14/h3-6,9-10,12H,7-8H2,1-2H3,(H2,19,20,21)
InChIKeyMRWWZFCEOBNWNR-UHFFFAOYSA-N
XLogP3.77
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 60569804
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
1-(1-tert-butyl-4-cyanopyrrol-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 51133261
1-[2-(methoxymethyl)phenyl]-3-(2-thiophen-2-ylethyl)urea
CID 47034839
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea
CID 75398088
1-(5-cyano-2-diazenylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 71198394
5-(5-cyano-2-propan-2-yloxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47704156
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86834751
(E)-3-(3-cyanophenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 39931408
N-[5-cyano-2-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 86815046
3-[[5-cyano-2-(difluoromethoxy)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079232

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea (CID 60569654) is 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea is CC(C)Oc1ccc(C#N)cc1NC(=O)NCCc1cccs1.
What is the InChIKey of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is MRWWZFCEOBNWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12(2)22-16-6-5-13(11-18)10-15(16)20-17(21)19-8-7-14-4-3-9-23-14/h3-6,9-10,12H,7-8H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea?
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 329.43 g/mol, XLogP of 3.77, 6 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-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 60569654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).