2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide

C16H25N3O3S — CID 113153062

IUPAC2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccn1)C1CCCCCC1
InChIInChI=1S/C16H25N3O3S/c1-23(21,22)19(15-9-4-2-3-5-10-15)13-16(20)18-12-14-8-6-7-11-17-14/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H,18,20)
InChIKeyBOVJXHISFFLAMY-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.68
Rot. Bonds6

About 2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide

2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 113153062) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID113153062
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccn1)C1CCCCCC1
InChIInChI=1S/C16H25N3O3S/c1-23(21,22)19(15-9-4-2-3-5-10-15)13-16(20)18-12-14-8-6-7-11-17-14/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H,18,20)
InChIKeyBOVJXHISFFLAMY-UHFFFAOYSA-N
XLogP1.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 1079970
2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113149028
N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989289
2-[cycloheptyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113153055
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150116
2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide
CID 50944930
3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023192
N-cycloheptyl-2-[cyclopentyl(methylsulfonyl)amino]acetamide
CID 113148899
2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide
CID 2986754
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150524

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide (CID 113153062) is 2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccn1)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BOVJXHISFFLAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-23(21,22)19(15-9-4-2-3-5-10-15)13-16(20)18-12-14-8-6-7-11-17-14/h6-8,11,15H,2-5,9-10,12-13H2,1H3,(H,18,20).
What are the key properties of 2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide?
2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 113153062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).