1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea

C13H13ClN2O2S — CID 95983547

IUPAC1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
SMILESO=C(NC[C@H](O)c1cccs1)Nc1ccccc1Cl
InChIInChI=1S/C13H13ClN2O2S/c14-9-4-1-2-5-10(9)16-13(18)15-8-11(17)12-6-3-7-19-12/h1-7,11,17H,8H2,(H2,15,16,18)/t11-/m0/s1
InChIKeyJUZVSYXWNNQOBA-NSHDSACASA-N
MW296.78 g/mol
LogP3.26
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea

1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea (PubChem CID 95983547) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
PubChem CID95983547
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
SMILESO=C(NC[C@H](O)c1cccs1)Nc1ccccc1Cl
InChIInChI=1S/C13H13ClN2O2S/c14-9-4-1-2-5-10(9)16-13(18)15-8-11(17)12-6-3-7-19-12/h1-7,11,17H,8H2,(H2,15,16,18)/t11-/m0/s1
InChIKeyJUZVSYXWNNQOBA-NSHDSACASA-N
XLogP3.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)oxamide
CID 90524242
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 90500402
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983552
3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62674288
1-(2-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61354888
1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
CID 90500385
1-(2-amino-2-phenylethyl)-3-(2-chlorophenyl)urea
CID 63120342
1-(2-chlorophenyl)-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99903212
2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
CID 60896334

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea (CID 95983547) is 1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea is O=C(NC[C@H](O)c1cccs1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea?
The InChIKey is JUZVSYXWNNQOBA-NSHDSACASA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-9-4-1-2-5-10(9)16-13(18)15-8-11(17)12-6-3-7-19-12/h1-7,11,17H,8H2,(H2,15,16,18)/t11-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea?
1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea has a molecular weight of 296.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 95983547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).