1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

C16H19ClN2O2S — CID 71810443

IUPAC1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCOC(CNC(=O)NCc1ccc(Cl)cc1)c1ccc(C)s1
InChIInChI=1S/C16H19ClN2O2S/c1-11-3-8-15(22-11)14(21-2)10-19-16(20)18-9-12-4-6-13(17)7-5-12/h3-8,14H,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyXDSWFYCEBUCINY-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.90
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (PubChem CID 71810443) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
PubChem CID71810443
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCOC(CNC(=O)NCc1ccc(Cl)cc1)c1ccc(C)s1
InChIInChI=1S/C16H19ClN2O2S/c1-11-3-8-15(22-11)14(21-2)10-19-16(20)18-9-12-4-6-13(17)7-5-12/h3-8,14H,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyXDSWFYCEBUCINY-UHFFFAOYSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810440
1-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-[(4-fluorophenyl)methyl]urea
CID 100730566
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810446
2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598394
1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598641
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 90598282
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598388
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (CID 71810443) is 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is COC(CNC(=O)NCc1ccc(Cl)cc1)c1ccc(C)s1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The InChIKey is XDSWFYCEBUCINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-11-3-8-15(22-11)14(21-2)10-19-16(20)18-9-12-4-6-13(17)7-5-12/h3-8,14H,9-10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea has a molecular weight of 338.86 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 71810443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).