1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

C16H18N2O3S — CID 111450202

IUPAC1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCC(C)(O)c2ccsc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-11(19)12-3-5-14(6-4-12)18-15(20)17-10-16(2,21)13-7-8-22-9-13/h3-9,21H,10H2,1-2H3,(H2,17,18,20)
InChIKeyJIQTYCDFPRHDPX-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.98
Rot. Bonds5

About 1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea

1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (PubChem CID 111450202) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
PubChem CID111450202
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCC(C)(O)c2ccsc2)cc1
InChIInChI=1S/C16H18N2O3S/c1-11(19)12-3-5-14(6-4-12)18-15(20)17-10-16(2,21)13-7-8-22-9-13/h3-9,21H,10H2,1-2H3,(H2,17,18,20)
InChIKeyJIQTYCDFPRHDPX-UHFFFAOYSA-N
XLogP2.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(4-nitrophenyl)urea
CID 95775457
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111453026
1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 60765071
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
(E)-N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)but-2-enediamide
CID 110007391
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-pentylurea
CID 111450359
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
1-(4,6-dimethyl-2-pyridinyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 75523367
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111521345

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea (CID 111450202) is 1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is CC(=O)c1ccc(NC(=O)NCC(C)(O)c2ccsc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
The InChIKey is JIQTYCDFPRHDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(19)12-3-5-14(6-4-12)18-15(20)17-10-16(2,21)13-7-8-22-9-13/h3-9,21H,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea?
1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea has a molecular weight of 318.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea is sourced from PubChem (CID 111450202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).