1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea

C17H27N3O3S — CID 113068655

IUPAC1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea
SMILESCc1cccc(N(CCNC(=O)NC2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C17H27N3O3S/c1-14-7-6-10-16(13-14)20(24(2,22)23)12-11-18-17(21)19-15-8-4-3-5-9-15/h6-7,10,13,15H,3-5,8-9,11-12H2,1-2H3,(H2,18,19,21)
InChIKeyYEKQEHXWDDTIFU-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.39
Rot. Bonds6

About 1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea

1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea (PubChem CID 113068655) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea
PubChem CID113068655
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea
SMILESCc1cccc(N(CCNC(=O)NC2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C17H27N3O3S/c1-14-7-6-10-16(13-14)20(24(2,22)23)12-11-18-17(21)19-15-8-4-3-5-9-15/h6-7,10,13,15H,3-5,8-9,11-12H2,1-2H3,(H2,18,19,21)
InChIKeyYEKQEHXWDDTIFU-UHFFFAOYSA-N
XLogP2.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea
CID 113070457
methyl 3-[2-(cyclohexylcarbamoylamino)ethyl-methylsulfonylamino]benzoate
CID 113071198
1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea
CID 113071523
1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea
CID 113068483
1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113070684
1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113071624
2-methyl-N-[2-(3-methyl-N-methylsulfonylanilino)ethyl]propanamide
CID 113068604
N-benzyl-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 125056160
N-cyclopentyl-2-[[2-(3-methyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132617528
(2R)-N-cyclohexyl-2-[[2-(3-methyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 125062723
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068580

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea (CID 113068655) is 1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea is Cc1cccc(N(CCNC(=O)NC2CCCCC2)S(C)(=O)=O)c1.
What is the InChIKey of 1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea?
The InChIKey is YEKQEHXWDDTIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14-7-6-10-16(13-14)20(24(2,22)23)12-11-18-17(21)19-15-8-4-3-5-9-15/h6-7,10,13,15H,3-5,8-9,11-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea?
1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea has a molecular weight of 353.49 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea is sourced from PubChem (CID 113068655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).