1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea

C17H20N2O3S — CID 27734788

IUPAC1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCc1ccc(NC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-4-8-15(9-5-12)19-17(20)18-13(2)14-6-10-16(11-7-14)23(3,21)22/h4-11,13H,1-3H3,(H2,18,19,20)/t13-/m0/s1
InChIKeySRZABBPVZHGZIY-ZDUSSCGKSA-N
MW332.43 g/mol
LogP3.28
Rot. Bonds4

About 1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea

1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea (PubChem CID 27734788) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
PubChem CID27734788
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCc1ccc(NC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-12-4-8-15(9-5-12)19-17(20)18-13(2)14-6-10-16(11-7-14)23(3,21)22/h4-11,13H,1-3H3,(H2,18,19,20)/t13-/m0/s1
InChIKeySRZABBPVZHGZIY-ZDUSSCGKSA-N
XLogP3.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]thiourea
CID 78690468
1-(3-bromo-4-methylphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 78874719
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 42930014
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
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CID 120666863
1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 87035526
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40843072
4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55665995
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 17087489

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea (CID 27734788) is 1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea is Cc1ccc(NC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea?
The InChIKey is SRZABBPVZHGZIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-4-8-15(9-5-12)19-17(20)18-13(2)14-6-10-16(11-7-14)23(3,21)22/h4-11,13H,1-3H3,(H2,18,19,20)/t13-/m0/s1.
What are the key properties of 1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea?
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea has a molecular weight of 332.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea is sourced from PubChem (CID 27734788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).