1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea

C18H22FN3O2S — CID 30521535

IUPAC1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea
SMILESO=C(NCc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCOCC1
InChIInChI=1S/C18H22FN3O2S/c19-16-3-1-14(2-4-16)11-20-18(23)21-12-17(15-5-10-25-13-15)22-6-8-24-9-7-22/h1-5,10,13,17H,6-9,11-12H2,(H2,20,21,23)/t17-/m1/s1
InChIKeyJPYBJMFRTILZCQ-QGZVFWFLSA-N
MW363.46 g/mol
LogP2.76
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea

1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea (PubChem CID 30521535) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea
PubChem CID30521535
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea
SMILESO=C(NCc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCOCC1
InChIInChI=1S/C18H22FN3O2S/c19-16-3-1-14(2-4-16)11-20-18(23)21-12-17(15-5-10-25-13-15)22-6-8-24-9-7-22/h1-5,10,13,17H,6-9,11-12H2,(H2,20,21,23)/t17-/m1/s1
InChIKeyJPYBJMFRTILZCQ-QGZVFWFLSA-N
XLogP2.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)acetamide
CID 16931692
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848634
N-[(4-chlorophenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932433
2-(4-fluorophenoxy)-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]acetamide
CID 30605201
N-[(4-methoxyphenyl)methyl]-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932457
2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931663
1-[2-(4-fluorophenyl)ethyl]-3-[(2R)-2-morpholin-4-yl-2-phenylethyl]urea
CID 51934907
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)cyclopropanecarboxamide
CID 16931690
1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835087

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea (CID 30521535) is 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea is O=C(NCc1ccc(F)cc1)NC[C@H](c1ccsc1)N1CCOCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea?
The InChIKey is JPYBJMFRTILZCQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c19-16-3-1-14(2-4-16)11-20-18(23)21-12-17(15-5-10-25-13-15)22-6-8-24-9-7-22/h1-5,10,13,17H,6-9,11-12H2,(H2,20,21,23)/t17-/m1/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea?
1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea has a molecular weight of 363.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea is sourced from PubChem (CID 30521535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).