1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea

C17H26N2O3S — CID 95980460

IUPAC1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O3S/c1-22-11-10-18-17(20)19-15-7-5-6-14(12-15)13-23(21)16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11,13H2,1H3,(H2,18,19,20)/t23-/m1/s1
InChIKeyOORVWEPODFYIKP-HSZRJFAPSA-N
MW338.47 g/mol
LogP3.04
Rot. Bonds7

About 1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea

1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea (PubChem CID 95980460) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea
PubChem CID95980460
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1
InChIInChI=1S/C17H26N2O3S/c1-22-11-10-18-17(20)19-15-7-5-6-14(12-15)13-23(21)16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11,13H2,1H3,(H2,18,19,20)/t23-/m1/s1
InChIKeyOORVWEPODFYIKP-HSZRJFAPSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclohexylsulfinylmethyl)phenyl]prop-2-enamide
CID 166405123
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide
CID 119327208
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 91642928
4-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]butanamide
CID 119327228
N-[3-(cyclohexylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119789972
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119327223
(2S)-2-amino-N-[3-(cyclohexylsulfinylmethyl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119327211
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86963458
N-[3-(cyclohexylsulfinylmethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119789944
N-[3-(cyclohexylsulfinylmethyl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86963463
1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea (CID 95980460) is 1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea is COCCNC(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1.
What is the InChIKey of 1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea?
The InChIKey is OORVWEPODFYIKP-HSZRJFAPSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-22-11-10-18-17(20)19-15-7-5-6-14(12-15)13-23(21)16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11,13H2,1H3,(H2,18,19,20)/t23-/m1/s1.
What are the key properties of 1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea?
1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea has a molecular weight of 338.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(R)-cyclohexylsulfinyl]methyl]phenyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 95980460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).