3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea

C18H21ClN2O3S — CID 90610830

IUPAC3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C18H21ClN2O3S/c1-23-17-5-4-13(19)11-16(17)20-18(22)21(12-15-3-2-10-25-15)14-6-8-24-9-7-14/h2-5,10-11,14H,6-9,12H2,1H3,(H,20,22)
InChIKeyZGQNBGCCIGHHGV-UHFFFAOYSA-N
MW380.90 g/mol
LogP4.62
Rot. Bonds5

About 3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea

3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 90610830) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
PubChem CID90610830
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C18H21ClN2O3S/c1-23-17-5-4-13(19)11-16(17)20-18(22)21(12-15-3-2-10-25-15)14-6-8-24-9-7-14/h2-5,10-11,14H,6-9,12H2,1H3,(H,20,22)
InChIKeyZGQNBGCCIGHHGV-UHFFFAOYSA-N
XLogP4.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 90610813
1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea
CID 55698704
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620419
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
methyl 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-fluorobenzoate
CID 78879191
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
3-(4-chlorophenyl)-1-(oxan-4-yl)-1-(2-thiophen-2-ylethyl)urea
CID 90611093
N-(5-chloro-2-methoxyphenyl)-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide
CID 166192874
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055232
N'-(5-chloro-2-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887407
3-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 73167821
2-[(3-chlorophenyl)carbamoyl-cyclopropylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4553266

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea (CID 90610830) is 3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea is COc1ccc(Cl)cc1NC(=O)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is ZGQNBGCCIGHHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-23-17-5-4-13(19)11-16(17)20-18(22)21(12-15-3-2-10-25-15)14-6-8-24-9-7-14/h2-5,10-11,14H,6-9,12H2,1H3,(H,20,22).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea?
3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 380.90 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 90610830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).