1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

C16H19ClN2O3S — CID 71810446

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCC(OC)c1ccc(C)s1
InChIInChI=1S/C16H19ClN2O3S/c1-10-4-7-15(23-10)14(22-3)9-18-16(20)19-12-8-11(17)5-6-13(12)21-2/h4-8,14H,9H2,1-3H3,(H2,18,19,20)
InChIKeyHFCZQRIJPYRXEU-UHFFFAOYSA-N
MW354.86 g/mol
LogP4.23
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (PubChem CID 71810446) has the molecular formula C16H19ClN2O3S and a molecular weight of 354.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
PubChem CID71810446
Molecular FormulaC16H19ClN2O3S
Molecular Weight354.86 g/mol
Exact Mass354.08
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCC(OC)c1ccc(C)s1
InChIInChI=1S/C16H19ClN2O3S/c1-10-4-7-15(23-10)14(22-3)9-18-16(20)19-12-8-11(17)5-6-13(12)21-2/h4-8,14H,9H2,1-3H3,(H2,18,19,20)
InChIKeyHFCZQRIJPYRXEU-UHFFFAOYSA-N
XLogP4.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598388
1-(3,4-dimethoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598650
1-(3-chlorophenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598641
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 129373912
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90598658
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623652
1-[(4-chlorophenyl)methyl]-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 71810443
2,5-dichloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
CID 90598394
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 73168483
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 129357962
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea (CID 71810446) is 1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is COc1ccc(Cl)cc1NC(=O)NCC(OC)c1ccc(C)s1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
The InChIKey is HFCZQRIJPYRXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S/c1-10-4-7-15(23-10)14(22-3)9-18-16(20)19-12-8-11(17)5-6-13(12)21-2/h4-8,14H,9H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea has a molecular weight of 354.86 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea is sourced from PubChem (CID 71810446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).