1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea

C15H17ClN2O2S — CID 90496966

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
SMILESCc1ccsc1C(O)CNC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-7-21-14(10)13(19)9-18-15(20)17-8-11-2-4-12(16)5-3-11/h2-7,13,19H,8-9H2,1H3,(H2,17,18,20)
InChIKeyVWCBPURCCVIYRQ-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.24
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea

1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea (PubChem CID 90496966) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
PubChem CID90496966
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
SMILESCc1ccsc1C(O)CNC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-7-21-14(10)13(19)9-18-15(20)17-8-11-2-4-12(16)5-3-11/h2-7,13,19H,8-9H2,1H3,(H2,17,18,20)
InChIKeyVWCBPURCCVIYRQ-UHFFFAOYSA-N
XLogP3.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983552
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525
1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 95982685
1-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 90496858
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
CID 95982626
1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-[(4-chlorophenyl)methyl]urea
CID 100727077
1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea
CID 90496950
3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 95366989
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide
CID 90496748
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]urea
CID 95986798
1-[(4-chlorophenyl)methyl]-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798421

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea (CID 90496966) is 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea is Cc1ccsc1C(O)CNC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
The InChIKey is VWCBPURCCVIYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-6-7-21-14(10)13(19)9-18-15(20)17-8-11-2-4-12(16)5-3-11/h2-7,13,19H,8-9H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea?
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea has a molecular weight of 324.83 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 90496966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).