1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea

C16H24N2O4S — CID 94118146

IUPAC1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-18(11-14-8-9-22-12-14)16(19)17-10-13-4-6-15(7-5-13)23(2,20)21/h4-7,14H,3,8-12H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeySLYXWTFSKDAFGV-AWEZNQCLSA-N
MW340.44 g/mol
LogP1.66
Rot. Bonds6

About 1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea

1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea (PubChem CID 94118146) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea
PubChem CID94118146
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea
SMILESCCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-18(11-14-8-9-22-12-14)16(19)17-10-13-4-6-15(7-5-13)23(2,20)21/h4-7,14H,3,8-12H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeySLYXWTFSKDAFGV-AWEZNQCLSA-N
XLogP1.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-ethyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 94030781
4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 94805874
5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 121499054
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207
N-cyclopropyl-4-methylsulfonyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 39697581
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111648217
1-ethyl-3-(2-methoxy-3-pyridinyl)-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 94147343
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960
3-[(4-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 110875744
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea
CID 156824580
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(oxolan-3-ylmethyl)propanamide
CID 76894991

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea (CID 94118146) is 1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea is CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea?
The InChIKey is SLYXWTFSKDAFGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-18(11-14-8-9-22-12-14)16(19)17-10-13-4-6-15(7-5-13)23(2,20)21/h4-7,14H,3,8-12H2,1-2H3,(H,17,19)/t14-/m0/s1.
What are the key properties of 1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea?
1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea has a molecular weight of 340.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-methylsulfonylphenyl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94118146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).