1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea

C14H15ClN2O2S — CID 90584205

IUPAC1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
SMILESCOC(CNC(=O)Nc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C14H15ClN2O2S/c1-19-13(10-6-7-20-9-10)8-16-14(18)17-12-4-2-11(15)3-5-12/h2-7,9,13H,8H2,1H3,(H2,16,17,18)
InChIKeyNOOPNWHGBQOSKQ-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.91
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea

1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea (PubChem CID 90584205) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
PubChem CID90584205
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
SMILESCOC(CNC(=O)Nc1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C14H15ClN2O2S/c1-19-13(10-6-7-20-9-10)8-16-14(18)17-12-4-2-11(15)3-5-12/h2-7,9,13H,8H2,1H3,(H2,16,17,18)
InChIKeyNOOPNWHGBQOSKQ-UHFFFAOYSA-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

1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97417096
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414515
1-(1,3-benzodioxol-5-yl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea
CID 90584208
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529
1-(4-chlorophenyl)-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]urea
CID 42551596
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
N'-(2-chlorophenyl)-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]oxamide
CID 97414510
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 90584171
N-(2-methoxy-2-thiophen-3-ylethyl)pentanamide
CID 90583823

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea (CID 90584205) is 1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea is COC(CNC(=O)Nc1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea?
The InChIKey is NOOPNWHGBQOSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-19-13(10-6-7-20-9-10)8-16-14(18)17-12-4-2-11(15)3-5-12/h2-7,9,13H,8H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea?
1-(4-chlorophenyl)-3-(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-(4-chlorophenyl)-3-(2-methoxy-2-thiophen-3-ylethyl)urea is sourced from PubChem (CID 90584205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).