1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea

C17H16N2O2S — CID 95367303

IUPAC1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea
SMILESO=C(NC[C@H](O)c1cccc2ccccc12)Nc1cccs1
InChIInChI=1S/C17H16N2O2S/c20-15(11-18-17(21)19-16-9-4-10-22-16)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,15,20H,11H2,(H2,18,19,21)/t15-/m0/s1
InChIKeyNBHQZXXBYWUJJF-HNNXBMFYSA-N
MW312.39 g/mol
LogP3.76
Rot. Bonds4

About 1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea

1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea (PubChem CID 95367303) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea
PubChem CID95367303
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea
SMILESO=C(NC[C@H](O)c1cccc2ccccc12)Nc1cccs1
InChIInChI=1S/C17H16N2O2S/c20-15(11-18-17(21)19-16-9-4-10-22-16)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,15,20H,11H2,(H2,18,19,21)/t15-/m0/s1
InChIKeyNBHQZXXBYWUJJF-HNNXBMFYSA-N
XLogP3.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2-phenylethyl)-3-thiophen-2-ylurea
CID 2812623
1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea
CID 6930537
1-(2-hydroxypropyl)-3-thiophen-2-ylurea
CID 117235204
1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497477
1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
CID 95367329
1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 95986779
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]cyclopentanecarboxamide
CID 95367123
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497463
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804285
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 124605589

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea (CID 95367303) is 1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea is O=C(NC[C@H](O)c1cccc2ccccc12)Nc1cccs1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea?
The InChIKey is NBHQZXXBYWUJJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-15(11-18-17(21)19-16-9-4-10-22-16)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,15,20H,11H2,(H2,18,19,21)/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea?
1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea has a molecular weight of 312.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 95367303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).