1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea

C18H24N2O2S — CID 124843918

IUPAC1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea
SMILESCOC[C@H](Cc1ccccc1)N(C)C(=O)NCCc1cccs1
InChIInChI=1S/C18H24N2O2S/c1-20(18(21)19-11-10-17-9-6-12-23-17)16(14-22-2)13-15-7-4-3-5-8-15/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyFKIQJZXMUUBEPB-INIZCTEOSA-N
MW332.47 g/mol
LogP3.19
Rot. Bonds8

About 1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea

1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea (PubChem CID 124843918) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea
PubChem CID124843918
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea
SMILESCOC[C@H](Cc1ccccc1)N(C)C(=O)NCCc1cccs1
InChIInChI=1S/C18H24N2O2S/c1-20(18(21)19-11-10-17-9-6-12-23-17)16(14-22-2)13-15-7-4-3-5-8-15/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyFKIQJZXMUUBEPB-INIZCTEOSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea with MolForge

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Related Compounds

3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R)-1-methoxy-3-phenylpropan-2-yl]-1-methylurea
CID 124851445
N-[4-[[[(1-methoxy-3-phenylpropan-2-yl)-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 119045779
3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 103235533
N-[3-[[[[(2S)-1-methoxy-3-phenylpropan-2-yl]-methylcarbamoyl]amino]methyl]phenyl]acetamide
CID 124849312
methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
CID 51091360
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
(2R,3R)-2,3-dihydroxy-N-methyl-N-(2-phenylethyl)-N'-(2-thiophen-2-ylethyl)butanediamide
CID 46230364
cis-methyl (1S,2R)-2-[(1-methoxy-3-phenylpropan-2-yl)-methylcarbamoyl]cyclopropane-1-carboxylate
CID 119051181
3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 103224820
benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate
CID 18111263
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea (CID 124843918) is 1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea is COC[C@H](Cc1ccccc1)N(C)C(=O)NCCc1cccs1.
What is the InChIKey of 1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is FKIQJZXMUUBEPB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-20(18(21)19-11-10-17-9-6-12-23-17)16(14-22-2)13-15-7-4-3-5-8-15/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea?
1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 332.47 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxy-3-phenylpropan-2-yl]-1-methyl-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 124843918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).