1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea

C15H24N2O3S — CID 95568330

IUPAC1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea
SMILESCCc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)CC)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-13-6-8-14(9-7-13)12(3)17-15(18)16-10-11-21(19,20)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H2,16,17,18)/t12-/m0/s1
InChIKeyPYYDYCNBZUQRNQ-LBPRGKRZSA-N
MW312.44 g/mol
LogP2.04
Rot. Bonds7

About 1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea

1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea (PubChem CID 95568330) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea
PubChem CID95568330
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea
SMILESCCc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)CC)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-13-6-8-14(9-7-13)12(3)17-15(18)16-10-11-21(19,20)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H2,16,17,18)/t12-/m0/s1
InChIKeyPYYDYCNBZUQRNQ-LBPRGKRZSA-N
XLogP2.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide
CID 94158544
1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea
CID 127510643
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878
1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108901615
1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-propylurea
CID 94211375
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
1-[1-(4-ethylphenyl)ethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56822950
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea?
The IUPAC name of 1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea (CID 95568330) is 1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea.
What is the SMILES notation for 1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea?
The canonical SMILES for 1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea is CCc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)CC)cc1.
What is the InChIKey of 1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea?
The InChIKey is PYYDYCNBZUQRNQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-13-6-8-14(9-7-13)12(3)17-15(18)16-10-11-21(19,20)5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H2,16,17,18)/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea?
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea has a molecular weight of 312.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea is sourced from PubChem (CID 95568330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).