2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide

C17H26N2O3S — CID 2232318

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide
SMILESCCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-2-19(23(21,22)16-12-8-5-9-13-16)14-17(20)18-15-10-6-3-4-7-11-15/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,18,20)
InChIKeySIXBFIVNNWUIIM-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.54
Rot. Bonds6

About 2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide

2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide (PubChem CID 2232318) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide
PubChem CID2232318
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide
SMILESCCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-2-19(23(21,22)16-12-8-5-9-13-16)14-17(20)18-15-10-6-3-4-7-11-15/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,18,20)
InChIKeySIXBFIVNNWUIIM-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide (CID 2232318) is 2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide is CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide?
The InChIKey is SIXBFIVNNWUIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-19(23(21,22)16-12-8-5-9-13-16)14-17(20)18-15-10-6-3-4-7-11-15/h5,8-9,12-13,15H,2-4,6-7,10-11,14H2,1H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide?
2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide has a molecular weight of 338.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(ethyl)amino]-N-cycloheptylacetamide is sourced from PubChem (CID 2232318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).