2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide

C14H21NO3S — CID 13344620

IUPAC2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H21NO3S/c1-11(2)15(12(3)4)14(16)10-19(17,18)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeySKUJKCIULLHMQX-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.11
Rot. Bonds5

About 2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide

2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide (PubChem CID 13344620) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide
PubChem CID13344620
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)c1ccccc1)C(C)C
InChIInChI=1S/C14H21NO3S/c1-11(2)15(12(3)4)14(16)10-19(17,18)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeySKUJKCIULLHMQX-UHFFFAOYSA-N
XLogP2.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide (CID 13344620) is 2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CS(=O)(=O)c1ccccc1)C(C)C.
What is the InChIKey of 2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is SKUJKCIULLHMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(2)15(12(3)4)14(16)10-19(17,18)13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide?
2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 283.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 13344620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).