1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea

C15H18N2O2S — CID 96566342

IUPAC1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCC[C@@H](O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C15H18N2O2S/c18-14(12-5-2-1-3-6-12)8-9-16-15(19)17-11-13-7-4-10-20-13/h1-7,10,14,18H,8-9,11H2,(H2,16,17,19)/t14-/m1/s1
InChIKeyPZGXIHDZZSKLOE-CQSZACIVSA-N
MW290.39 g/mol
LogP2.67
Rot. Bonds6

About 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea

1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 96566342) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID96566342
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCC[C@@H](O)c1ccccc1)NCc1cccs1
InChIInChI=1S/C15H18N2O2S/c18-14(12-5-2-1-3-6-12)8-9-16-15(19)17-11-13-7-4-10-20-13/h1-7,10,14,18H,8-9,11H2,(H2,16,17,19)/t14-/m1/s1
InChIKeyPZGXIHDZZSKLOE-CQSZACIVSA-N
XLogP2.67
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566343
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
2-methyl-4-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 80540659
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
CID 111470925
1-[2-[(S)-phenylsulfinyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95770892
(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61194297
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 97106355
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(thiophen-2-ylmethyl)urea
CID 95368354
N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 111471983
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea (CID 96566342) is 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea is O=C(NCC[C@@H](O)c1ccccc1)NCc1cccs1.
What is the InChIKey of 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is PZGXIHDZZSKLOE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-14(12-5-2-1-3-6-12)8-9-16-15(19)17-11-13-7-4-10-20-13/h1-7,10,14,18H,8-9,11H2,(H2,16,17,19)/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea?
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 96566342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).