2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide

C16H27NO3S — CID 850053

IUPAC2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C16H27NO3S/c1-7-17(8-2)21(18,19)16-11-14(12(4)5)13(6)10-15(16)20-9-3/h10-12H,7-9H2,1-6H3
InChIKeyQECMPZVZGHCAIZ-UHFFFAOYSA-N
MW313.46 g/mol
LogP3.55
Rot. Bonds7

About 2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide

2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 850053) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is 2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide
PubChem CID850053
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC Name2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C16H27NO3S/c1-7-17(8-2)21(18,19)16-11-14(12(4)5)13(6)10-15(16)20-9-3/h10-12H,7-9H2,1-6H3
InChIKeyQECMPZVZGHCAIZ-UHFFFAOYSA-N
XLogP3.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide (CID 850053) is 2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of 2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is QECMPZVZGHCAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-7-17(8-2)21(18,19)16-11-14(12(4)5)13(6)10-15(16)20-9-3/h10-12H,7-9H2,1-6H3.
What are the key properties of 2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide?
2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 313.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,N-diethyl-4-methyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 850053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).