1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea

C16H25N3O3S — CID 146090882

IUPAC1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea
SMILESCCN(C(=O)NCc1ncccc1S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C16H25N3O3S/c1-3-19(13-8-5-4-6-9-13)16(20)18-12-14-15(23(2,21)22)10-7-11-17-14/h7,10-11,13H,3-6,8-9,12H2,1-2H3,(H,18,20)
InChIKeyJFLYAXOFRGYLGW-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.35
Rot. Bonds5

About 1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea

1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea (PubChem CID 146090882) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea
PubChem CID146090882
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea
SMILESCCN(C(=O)NCc1ncccc1S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C16H25N3O3S/c1-3-19(13-8-5-4-6-9-13)16(20)18-12-14-15(23(2,21)22)10-7-11-17-14/h7,10-11,13H,3-6,8-9,12H2,1-2H3,(H,18,20)
InChIKeyJFLYAXOFRGYLGW-UHFFFAOYSA-N
XLogP2.35
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 82748868
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197
1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87003445
2-chloro-N-cyclohexyl-N-ethylpyridine-3-carboxamide
CID 18069572
1-tert-butyl-N-[(3-methylsulfonyl-2-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
CID 167969544
1-(cyclobutylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine
CID 120603078
3,5-dichloro-4-hydroxy-N-[(3-methylsulfonyl-2-pyridinyl)methyl]benzamide
CID 167885122
2-(3-methylsulfonyl-2-pyridinyl)acetic acid
CID 114600213
2-[cyclobutyl-(3-methylsulfonyl-2-pyridinyl)amino]ethanol
CID 102869029
N-cyclohexyl-N-ethyl-4-(methylamino)pyridine-2-carboxamide
CID 62167410
3-[cyclopentyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596626
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113153062

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea (CID 146090882) is 1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea is CCN(C(=O)NCc1ncccc1S(C)(=O)=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea?
The InChIKey is JFLYAXOFRGYLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-19(13-8-5-4-6-9-13)16(20)18-12-14-15(23(2,21)22)10-7-11-17-14/h7,10-11,13H,3-6,8-9,12H2,1-2H3,(H,18,20).
What are the key properties of 1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea?
1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea has a molecular weight of 339.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethyl-3-[(3-methylsulfonyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 146090882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).