1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea

C18H25N3O3S — CID 55696476

IUPAC1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCC2(N3CCOCC3)CCSC2)c1
InChIInChI=1S/C18H25N3O3S/c1-14(22)15-3-2-4-16(11-15)20-17(23)19-12-18(5-10-25-13-18)21-6-8-24-9-7-21/h2-4,11H,5-10,12-13H2,1H3,(H2,19,20,23)
InChIKeyYOEOVMMTEBEDLM-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.22
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea

1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea (PubChem CID 55696476) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
PubChem CID55696476
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCC2(N3CCOCC3)CCSC2)c1
InChIInChI=1S/C18H25N3O3S/c1-14(22)15-3-2-4-16(11-15)20-17(23)19-12-18(5-10-25-13-18)21-6-8-24-9-7-21/h2-4,11H,5-10,12-13H2,1H3,(H2,19,20,23)
InChIKeyYOEOVMMTEBEDLM-UHFFFAOYSA-N
XLogP2.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
1-[4-(azepane-1-carbonyl)phenyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55833645
1-(3,5-dimethoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696410
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 55912125
2,6-difluoro-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 94667443
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
2-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119862768
1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 94028637
1-[(2S)-1-hydroxybutan-2-yl]-3-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 95139939
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea (CID 55696476) is 1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea is CC(=O)c1cccc(NC(=O)NCC2(N3CCOCC3)CCSC2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea?
The InChIKey is YOEOVMMTEBEDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-14(22)15-3-2-4-16(11-15)20-17(23)19-12-18(5-10-25-13-18)21-6-8-24-9-7-21/h2-4,11H,5-10,12-13H2,1H3,(H2,19,20,23).
What are the key properties of 1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea?
1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea has a molecular weight of 363.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea is sourced from PubChem (CID 55696476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).