1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea

C16H20N2O2S — CID 111486785

IUPAC1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NC(CCCO)c2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-12-9-10-15(21-12)18-16(20)17-14(8-5-11-19)13-6-3-2-4-7-13/h2-4,6-7,9-10,14,19H,5,8,11H2,1H3,(H2,17,18,20)
InChIKeyMWHIIXVMSQFYOE-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.69
Rot. Bonds6

About 1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea

1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea (PubChem CID 111486785) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
PubChem CID111486785
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
SMILESCc1ccc(NC(=O)NC(CCCO)c2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-12-9-10-15(21-12)18-16(20)17-14(8-5-11-19)13-6-3-2-4-7-13/h2-4,6-7,9-10,14,19H,5,8,11H2,1H3,(H2,17,18,20)
InChIKeyMWHIIXVMSQFYOE-UHFFFAOYSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-(5-ethyl-1,3-thiazol-2-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111475690
1-(4-hydroxy-1-phenylbutyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111506869
1-(4-hydroxy-1-phenylbutyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]urea
CID 111861043
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-(4-hydroxy-1-phenylbutyl)-3-(3-methyl-1,2-benzoxazol-6-yl)urea
CID 127267207
1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 126820410
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea?
The IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea (CID 111486785) is 1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea?
The canonical SMILES for 1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea is Cc1ccc(NC(=O)NC(CCCO)c2ccccc2)s1.
What is the InChIKey of 1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea?
The InChIKey is MWHIIXVMSQFYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-9-10-15(21-12)18-16(20)17-14(8-5-11-19)13-6-3-2-4-7-13/h2-4,6-7,9-10,14,19H,5,8,11H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea?
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea has a molecular weight of 304.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea is sourced from PubChem (CID 111486785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).