1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea

C18H17ClN2O4S — CID 129417963

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC[C@](O)(c1ccco1)c1cccs1
InChIInChI=1S/C18H17ClN2O4S/c1-24-14-7-6-12(19)10-13(14)21-17(22)20-11-18(23,15-4-2-8-25-15)16-5-3-9-26-16/h2-10,23H,11H2,1H3,(H2,20,21,22)/t18-/m0/s1
InChIKeyVGHKKPPBITVPJV-SFHVURJKSA-N
MW392.86 g/mol
LogP4.06
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea (PubChem CID 129417963) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea
PubChem CID129417963
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC[C@](O)(c1ccco1)c1cccs1
InChIInChI=1S/C18H17ClN2O4S/c1-24-14-7-6-12(19)10-13(14)21-17(22)20-11-18(23,15-4-2-8-25-15)16-5-3-9-26-16/h2-10,23H,11H2,1H3,(H2,20,21,22)/t18-/m0/s1
InChIKeyVGHKKPPBITVPJV-SFHVURJKSA-N
XLogP4.06
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605306
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
CID 95352044
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 91816630
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(2-chloro-4-methoxyphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111474361
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methoxyphenyl)urea
CID 121085638
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 100687794
1-(2,3-dimethoxyphenyl)-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95983787
N-(5-chloro-2-methoxyphenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718180
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816673

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea (CID 129417963) is 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea is COc1ccc(Cl)cc1NC(=O)NC[C@](O)(c1ccco1)c1cccs1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea?
The InChIKey is VGHKKPPBITVPJV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-24-14-7-6-12(19)10-13(14)21-17(22)20-11-18(23,15-4-2-8-25-15)16-5-3-9-26-16/h2-10,23H,11H2,1H3,(H2,20,21,22)/t18-/m0/s1.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea has a molecular weight of 392.86 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 129417963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).