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

C17H25N3O3S — CID 42960503

IUPAC1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCC2(N3CCOCC3)CCSC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-22-15-4-2-14(3-5-15)19-16(21)18-12-17(6-11-24-13-17)20-7-9-23-10-8-20/h2-5H,6-13H2,1H3,(H2,18,19,21)
InChIKeyZFXOEKIAOTUYGM-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.02
Rot. Bonds5

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

1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea (PubChem CID 42960503) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
PubChem CID42960503
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCC2(N3CCOCC3)CCSC2)cc1
InChIInChI=1S/C17H25N3O3S/c1-22-15-4-2-14(3-5-15)19-16(21)18-12-17(6-11-24-13-17)20-7-9-23-10-8-20/h2-5H,6-13H2,1H3,(H2,18,19,21)
InChIKeyZFXOEKIAOTUYGM-UHFFFAOYSA-N
XLogP2.02
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696410
1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696476
1-[4-(azepane-1-carbonyl)phenyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55833645
1-[2-(4-methoxyphenyl)ethyl]-3-[(4-morpholin-4-ylthian-4-yl)methyl]urea
CID 139029271
1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 55912125
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
1-(4-methoxyphenyl)-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 71804942
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 55658606
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 111878587
1-[(2S)-1-hydroxybutan-2-yl]-3-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 95139939
2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 119862763

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea (CID 42960503) is 1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea is COc1ccc(NC(=O)NCC2(N3CCOCC3)CCSC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea?
The InChIKey is ZFXOEKIAOTUYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-22-15-4-2-14(3-5-15)19-16(21)18-12-17(6-11-24-13-17)20-7-9-23-10-8-20/h2-5H,6-13H2,1H3,(H2,18,19,21).
What are the key properties of 1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea?
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea has a molecular weight of 351.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea is sourced from PubChem (CID 42960503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).