1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea

C14H15ClN2O2S — CID 47032336

IUPAC1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2sccc2C)cc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-9-5-6-20-13(9)8-16-14(18)17-10-3-4-12(19-2)11(15)7-10/h3-7H,8H2,1-2H3,(H2,16,17,18)
InChIKeyBYTIYFDVPULVME-UHFFFAOYSA-N
MW310.81 g/mol
LogP4.04
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea

1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea (PubChem CID 47032336) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
PubChem CID47032336
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2sccc2C)cc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-9-5-6-20-13(9)8-16-14(18)17-10-3-4-12(19-2)11(15)7-10/h3-7H,8H2,1-2H3,(H2,16,17,18)
InChIKeyBYTIYFDVPULVME-UHFFFAOYSA-N
XLogP4.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 55743390
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
2-chloro-N-cyclopropyl-5-[(3-methylthiophen-2-yl)methylcarbamoylamino]benzamide
CID 55836455
1-(2-chloro-4-fluorophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47032127
1-(3-chloro-4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 47195717
1-(3-chloro-4-methoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919114
1-(3-chloro-4-methoxyphenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169385
1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388284
N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866426
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea (CID 47032336) is 1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea is COc1ccc(NC(=O)NCc2sccc2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea?
The InChIKey is BYTIYFDVPULVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-5-6-20-13(9)8-16-14(18)17-10-3-4-12(19-2)11(15)7-10/h3-7H,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea?
1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea has a molecular weight of 310.81 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 47032336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).