1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea

C18H17FN2O2S — CID 166233157

IUPAC1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCc1csc2ccccc12)NC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S/c19-14-7-5-12(6-8-14)16(22)10-21-18(23)20-9-13-11-24-17-4-2-1-3-15(13)17/h1-8,11,16,22H,9-10H2,(H2,20,21,23)/t16-/m0/s1
InChIKeyRSUMDUMPRMWYBH-INIZCTEOSA-N
MW344.41 g/mol
LogP3.57
Rot. Bonds5

About 1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea

1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 166233157) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID166233157
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCc1csc2ccccc12)NC[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O2S/c19-14-7-5-12(6-8-14)16(22)10-21-18(23)20-9-13-11-24-17-4-2-1-3-15(13)17/h1-8,11,16,22H,9-10H2,(H2,20,21,23)/t16-/m0/s1
InChIKeyRSUMDUMPRMWYBH-INIZCTEOSA-N
XLogP3.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 110895643
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364
2-(1-benzothiophen-3-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110889955
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 110893336
1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-[(4-chlorophenyl)methyl]urea
CID 100727077
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
3-(1-benzothiophen-3-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 115164300
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylethyl)urea
CID 110893367
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110896199
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea (CID 166233157) is 1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea is O=C(NCc1csc2ccccc12)NC[C@H](O)c1ccc(F)cc1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is RSUMDUMPRMWYBH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c19-14-7-5-12(6-8-14)16(22)10-21-18(23)20-9-13-11-24-17-4-2-1-3-15(13)17/h1-8,11,16,22H,9-10H2,(H2,20,21,23)/t16-/m0/s1.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea?
1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 344.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 166233157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).