N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide

C13H26N2O3S — CID 2984150

IUPACN-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-4-11(2)14-13(16)10-15(19(3,17)18)12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyNNURTVGWUSOOMI-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.50
Rot. Bonds6

About N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide

N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide (PubChem CID 2984150) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
PubChem CID2984150
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O3S/c1-4-11(2)14-13(16)10-15(19(3,17)18)12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyNNURTVGWUSOOMI-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide (CID 2984150) is N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide is CCC(C)NC(=O)CN(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The InChIKey is NNURTVGWUSOOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-11(2)14-13(16)10-15(19(3,17)18)12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide has a molecular weight of 290.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[cyclohexyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 2984150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).