1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea

C20H24N2O4S — CID 72838907

IUPAC1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea
SMILESCC(=O)c1cccc(-c2ccc(NC(=O)NCCS(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-14(2)27(25,26)12-11-21-20(24)22-19-9-7-16(8-10-19)18-6-4-5-17(13-18)15(3)23/h4-10,13-14H,11-12H2,1-3H3,(H2,21,22,24)
InChIKeyMGFWBHFDQXBHDS-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.50
Rot. Bonds7

About 1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea

1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea (PubChem CID 72838907) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea.

Molecular Properties

Compound Name1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea
PubChem CID72838907
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea
SMILESCC(=O)c1cccc(-c2ccc(NC(=O)NCCS(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H24N2O4S/c1-14(2)27(25,26)12-11-21-20(24)22-19-9-7-16(8-10-19)18-6-4-5-17(13-18)15(3)23/h4-10,13-14H,11-12H2,1-3H3,(H2,21,22,24)
InChIKeyMGFWBHFDQXBHDS-UHFFFAOYSA-N
XLogP3.50
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-ylsulfonylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 72872817
1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 51130126
3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide
CID 115581776
1-[3-(4-propan-2-ylphenyl)phenyl]ethanone
CID 61034135
4-(3-acetylphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118787053
1-(4-acetylphenyl)-3-[2-(methanesulfonamido)ethyl]urea
CID 47022405
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725
1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
CID 94819199
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
1-[3-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340525
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
CID 146076602
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea?
The IUPAC name of 1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea (CID 72838907) is 1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea.
What is the SMILES notation for 1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea?
The canonical SMILES for 1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea is CC(=O)c1cccc(-c2ccc(NC(=O)NCCS(=O)(=O)C(C)C)cc2)c1.
What is the InChIKey of 1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea?
The InChIKey is MGFWBHFDQXBHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14(2)27(25,26)12-11-21-20(24)22-19-9-7-16(8-10-19)18-6-4-5-17(13-18)15(3)23/h4-10,13-14H,11-12H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea?
1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea has a molecular weight of 388.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea is sourced from PubChem (CID 72838907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).