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

C13H21NO2S — CID 134507844

IUPACN-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
SMILESCCc1ccc(C(C)C)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C13H21NO2S/c1-6-11-7-8-12(10(2)3)13(9-11)14(4)17(5,15)16/h7-10H,6H2,1-5H3
InChIKeyLOVOBUSCGZQOLK-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.77
Rot. Bonds4

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

N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide (PubChem CID 134507844) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
PubChem CID134507844
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
SMILESCCc1ccc(C(C)C)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C13H21NO2S/c1-6-11-7-8-12(10(2)3)13(9-11)14(4)17(5,15)16/h7-10H,6H2,1-5H3
InChIKeyLOVOBUSCGZQOLK-UHFFFAOYSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-ethoxy-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
CID 167101115
N-[5-(cyclopropylmethoxy)-2-propan-2-ylphenyl]-N-methylmethanesulfonamide
CID 167101171
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
1-(5-ethyl-2-propan-2-ylphenyl)ethanone
CID 117281997
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612968
2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine
CID 166537892
2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid
CID 117115118
N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide
CID 171399412
N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide
CID 117358329
(Z)-2-(5-ethyl-2-propan-2-ylphenyl)ethenamine
CID 134408617
2-(3-methyl-4-propan-2-ylphenoxy)ethyl 2-[methyl(methylsulfonyl)amino]benzoate
CID 18158355

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide (CID 134507844) is N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide is CCc1ccc(C(C)C)c(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The InChIKey is LOVOBUSCGZQOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-6-11-7-8-12(10(2)3)13(9-11)14(4)17(5,15)16/h7-10H,6H2,1-5H3.
What are the key properties of N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-propan-2-ylphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 134507844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).