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

C16H24N2O3S — CID 963779

IUPACN-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H24N2O3S/c1-22(20,21)18(15-10-6-3-7-11-15)13-16(19)17-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,17,19)
InChIKeyQRRHBSLIFIWXNK-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.90
Rot. Bonds6

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

N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide (PubChem CID 963779) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
PubChem CID963779
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H24N2O3S/c1-22(20,21)18(15-10-6-3-7-11-15)13-16(19)17-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,17,19)
InChIKeyQRRHBSLIFIWXNK-UHFFFAOYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide (CID 963779) is N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The InChIKey is QRRHBSLIFIWXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-22(20,21)18(15-10-6-3-7-11-15)13-16(19)17-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,17,19).
What are the key properties of N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide has a molecular weight of 324.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 963779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).