N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide

C13H21NO3S — CID 167101115

IUPACN-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
SMILESCCOc1ccc(C(C)C)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C13H21NO3S/c1-6-17-11-7-8-12(10(2)3)13(9-11)14(4)18(5,15)16/h7-10H,6H2,1-5H3
InChIKeyQYHWRMICEUBZGC-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.60
Rot. Bonds5

About N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide

N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide (PubChem CID 167101115) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
PubChem CID167101115
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
SMILESCCOc1ccc(C(C)C)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C13H21NO3S/c1-6-17-11-7-8-12(10(2)3)13(9-11)14(4)18(5,15)16/h7-10H,6H2,1-5H3
InChIKeyQYHWRMICEUBZGC-UHFFFAOYSA-N
XLogP2.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide (CID 167101115) is N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide is CCOc1ccc(C(C)C)c(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The InChIKey is QYHWRMICEUBZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-6-17-11-7-8-12(10(2)3)13(9-11)14(4)18(5,15)16/h7-10H,6H2,1-5H3.
What are the key properties of N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 167101115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).