1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea

C17H27N3O2S — CID 95304132

IUPAC1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
SMILESCOC[C@@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1
InChIInChI=1S/C17H27N3O2S/c1-14(13-22-2)18-17(21)19-16-5-3-15(4-6-16)7-8-20-9-11-23-12-10-20/h3-6,14H,7-13H2,1-2H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyIZKDPIIYJNJITC-CQSZACIVSA-N
MW337.49 g/mol
LogP2.43
Rot. Bonds7

About 1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea

1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea (PubChem CID 95304132) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
PubChem CID95304132
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
SMILESCOC[C@@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1
InChIInChI=1S/C17H27N3O2S/c1-14(13-22-2)18-17(21)19-16-5-3-15(4-6-16)7-8-20-9-11-23-12-10-20/h3-6,14H,7-13H2,1-2H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyIZKDPIIYJNJITC-CQSZACIVSA-N
XLogP2.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea with MolForge

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 86796852
1-[(2R)-4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 99785617
1-[1-(4-chlorophenyl)ethyl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606653
3-amino-2-methyl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]butanamide;dihydrochloride
CID 120503508
1-(cyclohexylmethyl)-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60606675
3-amino-2-methyl-3-phenyl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]propanamide;dihydrochloride
CID 119869844
N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 49058408
1-[2-(3-methylphenoxy)ethyl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60604711
4-bromo-5-propan-2-yl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 56565687
4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
CID 94811602
1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea
CID 94820739
N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide
CID 48947382

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea?
The IUPAC name of 1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea (CID 95304132) is 1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea.
What is the SMILES notation for 1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea?
The canonical SMILES for 1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea is COC[C@@H](C)NC(=O)Nc1ccc(CCN2CCSCC2)cc1.
What is the InChIKey of 1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea?
The InChIKey is IZKDPIIYJNJITC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-14(13-22-2)18-17(21)19-16-5-3-15(4-6-16)7-8-20-9-11-23-12-10-20/h3-6,14H,7-13H2,1-2H3,(H2,18,19,21)/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea?
1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea has a molecular weight of 337.49 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea is sourced from PubChem (CID 95304132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).