1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea

C15H17ClN2O3S — CID 154770492

IUPAC1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cscc2Cl)c(C)c1OC
InChIInChI=1S/C15H17ClN2O3S/c1-9-10(4-5-13(20-2)14(9)21-3)6-17-15(19)18-12-8-22-7-11(12)16/h4-5,7-8H,6H2,1-3H3,(H2,17,18,19)
InChIKeyKJRIJDZWXDEAFN-UHFFFAOYSA-N
MW340.83 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea

1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea (PubChem CID 154770492) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is 1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea
PubChem CID154770492
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cscc2Cl)c(C)c1OC
InChIInChI=1S/C15H17ClN2O3S/c1-9-10(4-5-13(20-2)14(9)21-3)6-17-15(19)18-12-8-22-7-11(12)16/h4-5,7-8H,6H2,1-3H3,(H2,17,18,19)
InChIKeyKJRIJDZWXDEAFN-UHFFFAOYSA-N
XLogP4.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[(4-methoxy-2,3-dimethylphenyl)methyl]urea
CID 110775172
1,3-bis(4-chlorothiophen-3-yl)urea
CID 50852480
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
CID 52594568
1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 23966213
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
CID 115170906
1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
3-[(4-methoxy-2,3-dimethylphenyl)methylamino]-3-oxopropanoic acid
CID 115163405
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea?
The IUPAC name of 1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea (CID 154770492) is 1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea?
The canonical SMILES for 1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2cscc2Cl)c(C)c1OC.
What is the InChIKey of 1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea?
The InChIKey is KJRIJDZWXDEAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-9-10(4-5-13(20-2)14(9)21-3)6-17-15(19)18-12-8-22-7-11(12)16/h4-5,7-8H,6H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea?
1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea has a molecular weight of 340.83 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea is sourced from PubChem (CID 154770492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).