1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea

C18H22N2O3S — CID 154418525

IUPAC1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea
SMILESCc1ccccc1S(=O)(=O)NC(=O)N(C)C(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-14-9-7-8-12-17(14)24(22,23)19-18(21)20(3)15(2)13-16-10-5-4-6-11-16/h4-12,15H,13H2,1-3H3,(H,19,21)
InChIKeyXMSFUTVBGBWRIR-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.96
Rot. Bonds5

About 1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea

1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea (PubChem CID 154418525) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea
PubChem CID154418525
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea
SMILESCc1ccccc1S(=O)(=O)NC(=O)N(C)C(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-14-9-7-8-12-17(14)24(22,23)19-18(21)20(3)15(2)13-16-10-5-4-6-11-16/h4-12,15H,13H2,1-3H3,(H,19,21)
InChIKeyXMSFUTVBGBWRIR-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-N-(2-methylphenyl)sulfonylpropanamide
CID 763152
3-[(2-methylphenyl)sulfonylamino]-2-oxo-4-phenylbutanamide
CID 175269810
N-methyl-N-[(2S)-1-phenylpropan-2-yl]carbamoyl chloride
CID 167430953
(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118038110
(2-methylphenyl)sulfonylurea
CID 20975378
N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 135264896
N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide
CID 118037736
(2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 69341011
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118039001
N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinoxalin-6-ylpropanamide
CID 118038545
N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052766
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea?
The IUPAC name of 1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea (CID 154418525) is 1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea?
The canonical SMILES for 1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea is Cc1ccccc1S(=O)(=O)NC(=O)N(C)C(C)Cc1ccccc1.
What is the InChIKey of 1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea?
The InChIKey is XMSFUTVBGBWRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-9-7-8-12-17(14)24(22,23)19-18(21)20(3)15(2)13-16-10-5-4-6-11-16/h4-12,15H,13H2,1-3H3,(H,19,21).
What are the key properties of 1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea?
1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea has a molecular weight of 346.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylphenyl)sulfonyl-1-(1-phenylpropan-2-yl)urea is sourced from PubChem (CID 154418525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).