2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide

C17H27NO3S — CID 2218678

IUPAC2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H27NO3S/c1-14(2)10-18(11-15(3)4)17(19)13-22(20,21)12-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3
InChIKeyZQQFXVIQPWCOCQ-UHFFFAOYSA-N
MW325.47 g/mol
LogP2.74
Rot. Bonds8

About 2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide

2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide (PubChem CID 2218678) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is 2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide
PubChem CID2218678
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H27NO3S/c1-14(2)10-18(11-15(3)4)17(19)13-22(20,21)12-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3
InChIKeyZQQFXVIQPWCOCQ-UHFFFAOYSA-N
XLogP2.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide (CID 2218678) is 2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide is CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is ZQQFXVIQPWCOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-14(2)10-18(11-15(3)4)17(19)13-22(20,21)12-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of 2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide?
2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 325.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 2218678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).