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

C14H15ClN2O2S — CID 97417096

IUPAC1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
SMILESCO[C@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C14H15ClN2O2S/c1-19-13(10-6-7-20-9-10)8-16-14(18)17-12-5-3-2-4-11(12)15/h2-7,9,13H,8H2,1H3,(H2,16,17,18)/t13-/m1/s1
InChIKeyABSKTKWHYYZMMT-CYBMUJFWSA-N
MW310.81 g/mol
LogP3.91
Rot. Bonds5

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

1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea (PubChem CID 97417096) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
PubChem CID97417096
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
SMILESCO[C@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1
InChIInChI=1S/C14H15ClN2O2S/c1-19-13(10-6-7-20-9-10)8-16-14(18)17-12-5-3-2-4-11(12)15/h2-7,9,13H,8H2,1H3,(H2,16,17,18)/t13-/m1/s1
InChIKeyABSKTKWHYYZMMT-CYBMUJFWSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414510
1-(2-chlorophenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 51896387
1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584205
1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417892
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876562
1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981751
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methoxyphenyl)urea
CID 52992664
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(2-nitrophenyl)oxamide
CID 90584146
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea (CID 97417096) is 1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea is CO[C@H](CNC(=O)Nc1ccccc1Cl)c1ccsc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea?
The InChIKey is ABSKTKWHYYZMMT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-19-13(10-6-7-20-9-10)8-16-14(18)17-12-5-3-2-4-11(12)15/h2-7,9,13H,8H2,1H3,(H2,16,17,18)/t13-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea?
1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea has a molecular weight of 310.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 97417096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).