1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea

C18H23N3O2S — CID 129470856

IUPAC1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@H](c1ccc(NC(=O)NCc2cccs2)cc1)N1CCOCC1
InChIInChI=1S/C18H23N3O2S/c1-14(21-8-10-23-11-9-21)15-4-6-16(7-5-15)20-18(22)19-13-17-3-2-12-24-17/h2-7,12,14H,8-11,13H2,1H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyCHBXIOHWNDXRBY-CQSZACIVSA-N
MW345.47 g/mol
LogP3.46
Rot. Bonds5

About 1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea

1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 129470856) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID129470856
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@H](c1ccc(NC(=O)NCc2cccs2)cc1)N1CCOCC1
InChIInChI=1S/C18H23N3O2S/c1-14(21-8-10-23-11-9-21)15-4-6-16(7-5-15)20-18(22)19-13-17-3-2-12-24-17/h2-7,12,14H,8-11,13H2,1H3,(H2,19,20,22)/t14-/m1/s1
InChIKeyCHBXIOHWNDXRBY-CQSZACIVSA-N
XLogP3.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[4-(1-morpholin-4-ylethyl)phenyl]urea
CID 56792871
1-(1-morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
2-amino-2-methyl-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878378
1-[(2R)-1-anilinopropan-2-yl]-3-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]urea
CID 97020119
(2R)-2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]propanamide
CID 119878404
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 60545598
N-[4-(1-morpholin-4-ylethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75463337
1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614
1-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 71791001
1-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 93482584
2-amino-N-[4-(1-morpholin-4-ylethyl)phenyl]-2-phenylpropanamide;dihydrochloride
CID 120596567
N'-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 30835462

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea (CID 129470856) is 1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea is C[C@H](c1ccc(NC(=O)NCc2cccs2)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is CHBXIOHWNDXRBY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14(21-8-10-23-11-9-21)15-4-6-16(7-5-15)20-18(22)19-13-17-3-2-12-24-17/h2-7,12,14H,8-11,13H2,1H3,(H2,19,20,22)/t14-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea?
1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 345.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-morpholin-4-ylethyl]phenyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 129470856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).