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

C17H27N3O4S — CID 113070457

IUPAC1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea
SMILESCOc1cccc(N(CCNC(=O)NC2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C17H27N3O4S/c1-24-16-10-6-9-15(13-16)20(25(2,22)23)12-11-18-17(21)19-14-7-4-3-5-8-14/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3,(H2,18,19,21)
InChIKeyVTTZOYQEXDKEDA-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.09
Rot. Bonds7

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

1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea (PubChem CID 113070457) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea
PubChem CID113070457
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea
SMILESCOc1cccc(N(CCNC(=O)NC2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C17H27N3O4S/c1-24-16-10-6-9-15(13-16)20(25(2,22)23)12-11-18-17(21)19-14-7-4-3-5-8-14/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3,(H2,18,19,21)
InChIKeyVTTZOYQEXDKEDA-UHFFFAOYSA-N
XLogP2.09
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(cyclohexylcarbamoylamino)ethyl-methylsulfonylamino]benzoate
CID 113071198
1-cyclohexyl-3-[2-(3-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113068655
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113070461
1-cyclopropyl-3-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]urea
CID 113071523
1-cyclopropyl-3-[2-(N-methylsulfonylanilino)ethyl]urea
CID 113068483
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide
CID 113060593
1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113070684
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]-2-phenoxyacetamide
CID 113070442
N-cyclopentyl-2-[[2-(3-methoxy-N-methylsulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132621726
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
(2R)-N-cyclohexyl-2-[[2-(3-methoxy-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125050395
N-benzyl-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(3-methoxy-N-methylsulfonylanilino)butanamide
CID 125053396

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea (CID 113070457) is 1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea is COc1cccc(N(CCNC(=O)NC2CCCCC2)S(C)(=O)=O)c1.
What is the InChIKey of 1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea?
The InChIKey is VTTZOYQEXDKEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-24-16-10-6-9-15(13-16)20(25(2,22)23)12-11-18-17(21)19-14-7-4-3-5-8-14/h6,9-10,13-14H,3-5,7-8,11-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea?
1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea has a molecular weight of 369.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]urea is sourced from PubChem (CID 113070457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).