1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea

C21H22N2O2S — CID 95982791

IUPAC1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)NC[C@@](O)(c1cccs1)C1CC1
InChIInChI=1S/C21H22N2O2S/c24-20(22-13-16-7-3-6-15-5-1-2-8-18(15)16)23-14-21(25,17-10-11-17)19-9-4-12-26-19/h1-9,12,17,25H,10-11,13-14H2,(H2,22,23,24)/t21-/m0/s1
InChIKeyNGIZCYHIEUIARI-NRFANRHFSA-N
MW366.49 g/mol
LogP4.00
Rot. Bonds6

About 1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea

1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea (PubChem CID 95982791) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea
PubChem CID95982791
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea
SMILESO=C(NCc1cccc2ccccc12)NC[C@@](O)(c1cccs1)C1CC1
InChIInChI=1S/C21H22N2O2S/c24-20(22-13-16-7-3-6-15-5-1-2-8-18(15)16)23-14-21(25,17-10-11-17)19-9-4-12-26-19/h1-9,12,17,25H,10-11,13-14H2,(H2,22,23,24)/t21-/m0/s1
InChIKeyNGIZCYHIEUIARI-NRFANRHFSA-N
XLogP4.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 95982777
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide
CID 71781709
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 95982762
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 90496987
1-(2-hydroxy-2-phenylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 121112095
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(naphthalen-1-ylmethyl)urea
CID 111450577
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide
CID 90497186
3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90496994
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 99873674
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
CID 90496997

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea (CID 95982791) is 1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea is O=C(NCc1cccc2ccccc12)NC[C@@](O)(c1cccs1)C1CC1.
What is the InChIKey of 1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea?
The InChIKey is NGIZCYHIEUIARI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-20(22-13-16-7-3-6-15-5-1-2-8-18(15)16)23-14-21(25,17-10-11-17)19-9-4-12-26-19/h1-9,12,17,25H,10-11,13-14H2,(H2,22,23,24)/t21-/m0/s1.
What are the key properties of 1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea?
1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea has a molecular weight of 366.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 95982791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).