1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea

C17H28N2O3S — CID 95344471

IUPAC1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea
SMILESCCOc1cccc([C@@H](C)NC(=O)NCC[S@@](=O)C(C)(C)C)c1
InChIInChI=1S/C17H28N2O3S/c1-6-22-15-9-7-8-14(12-15)13(2)19-16(20)18-10-11-23(21)17(3,4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H2,18,19,20)/t13-,23-/m1/s1
InChIKeyOVEZTLFSEJCLTR-JCQPUDPBSA-N
MW340.49 g/mol
LogP2.99
Rot. Bonds7

About 1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea

1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea (PubChem CID 95344471) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea
PubChem CID95344471
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea
SMILESCCOc1cccc([C@@H](C)NC(=O)NCC[S@@](=O)C(C)(C)C)c1
InChIInChI=1S/C17H28N2O3S/c1-6-22-15-9-7-8-14(12-15)13(2)19-16(20)18-10-11-23(21)17(3,4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H2,18,19,20)/t13-,23-/m1/s1
InChIKeyOVEZTLFSEJCLTR-JCQPUDPBSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
1-[1-(3-ethoxyphenyl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440971
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 172536135
N-[2-[[(1R)-1-(3-ethoxyphenyl)ethyl]carbamoylamino]ethyl]furan-2-carboxamide
CID 95041246
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
1-[1-(3-ethoxyphenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110909256
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
CID 125458965
(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 124683253
1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60600235
N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea (CID 95344471) is 1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea is CCOc1cccc([C@@H](C)NC(=O)NCC[S@@](=O)C(C)(C)C)c1.
What is the InChIKey of 1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea?
The InChIKey is OVEZTLFSEJCLTR-JCQPUDPBSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-6-22-15-9-7-8-14(12-15)13(2)19-16(20)18-10-11-23(21)17(3,4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H2,18,19,20)/t13-,23-/m1/s1.
What are the key properties of 1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea?
1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea has a molecular weight of 340.49 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea is sourced from PubChem (CID 95344471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).