1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea

C13H20N2O3S — CID 154175868

IUPAC1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea
SMILESCCc1ccc(S(=O)(=O)NC(=O)NCC(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-4-11-5-7-12(8-6-11)19(17,18)15-13(16)14-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,14,15,16)
InChIKeyMJCXCPWBHYFZPS-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.89
Rot. Bonds5

About 1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea

1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea (PubChem CID 154175868) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea
PubChem CID154175868
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea
SMILESCCc1ccc(S(=O)(=O)NC(=O)NCC(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-4-11-5-7-12(8-6-11)19(17,18)15-13(16)14-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,14,15,16)
InChIKeyMJCXCPWBHYFZPS-UHFFFAOYSA-N
XLogP1.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)urea
CID 163760094
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950
4-[(4-ethylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540255
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
CID 12795529
N-(2-amino-3-hydroxybutyl)-4-ethylbenzenesulfonamide
CID 64540425
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
(2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide
CID 2437234
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
(4-ethylphenyl) 4-(propan-2-ylsulfamoyl)benzoate
CID 16592113

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea (CID 154175868) is 1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea is CCc1ccc(S(=O)(=O)NC(=O)NCC(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea?
The InChIKey is MJCXCPWBHYFZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-11-5-7-12(8-6-11)19(17,18)15-13(16)14-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea?
1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea has a molecular weight of 284.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-3-(2-methylpropyl)urea is sourced from PubChem (CID 154175868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).