N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide

C17H26N2O3S — CID 954160

IUPACN-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-18(13-15-9-5-3-6-10-15)17(20)14-19(23(2,21)22)16-11-7-4-8-12-16/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3
InChIKeyUITMQXRWLMUOST-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.24
Rot. Bonds6

About N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide

N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide (PubChem CID 954160) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide
PubChem CID954160
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-18(13-15-9-5-3-6-10-15)17(20)14-19(23(2,21)22)16-11-7-4-8-12-16/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3
InChIKeyUITMQXRWLMUOST-UHFFFAOYSA-N
XLogP2.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide (CID 954160) is N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide?
The InChIKey is UITMQXRWLMUOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-18(13-15-9-5-3-6-10-15)17(20)14-19(23(2,21)22)16-11-7-4-8-12-16/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3.
What are the key properties of N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide?
N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide has a molecular weight of 338.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]-N-methylacetamide is sourced from PubChem (CID 954160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).