N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide

C16H27NO3S — CID 110788400

IUPACN-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H27NO3S/c1-7-21(18,19)17-9-8-13-11-14(16(3,4)5)15(20-6)10-12(13)2/h10-11,17H,7-9H2,1-6H3
InChIKeyLDNZGITVUYXHGT-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide

N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide (PubChem CID 110788400) has the molecular formula C16H27NO3S and a molecular weight of 313.46 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide
PubChem CID110788400
Molecular FormulaC16H27NO3S
Molecular Weight313.46 g/mol
Exact Mass313.17
IUPAC NameN-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H27NO3S/c1-7-21(18,19)17-9-8-13-11-14(16(3,4)5)15(20-6)10-12(13)2/h10-11,17H,7-9H2,1-6H3
InChIKeyLDNZGITVUYXHGT-UHFFFAOYSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
CID 110788053
N-[2-(5-tert-butyl-2-methylphenyl)ethyl]ethanesulfonamide
CID 110787933
2-(5-tert-butyl-4-methoxy-2-methylphenyl)acetamide
CID 82496629
4-(5-tert-butyl-4-methoxy-2-methylphenyl)butanenitrile
CID 96662662
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
5-(5-tert-butyl-4-methoxy-2-methylphenyl)pentanenitrile
CID 98017001
5-tert-butyl-4-methoxy-N-(3-methoxypropyl)-2-methylbenzenesulfonamide
CID 110757792
N-[(2,5-dimethoxy-4-methylphenyl)methyl]ethanesulfonamide
CID 110783168
2-amino-N-[(5-tert-butyl-4-methoxy-2-methylphenyl)methyl]acetamide
CID 96678465
4-(4-tert-butyl-5-methoxy-2-methylphenyl)butan-1-amine
CID 117377717
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 110781255
1-tert-butyl-2-methoxy-5-methyl-4-methylsulfonylbenzene
CID 155748000

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide (CID 110788400) is N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1cc(C(C)(C)C)c(OC)cc1C.
What is the InChIKey of N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide?
The InChIKey is LDNZGITVUYXHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3S/c1-7-21(18,19)17-9-8-13-11-14(16(3,4)5)15(20-6)10-12(13)2/h10-11,17H,7-9H2,1-6H3.
What are the key properties of N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide?
N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide has a molecular weight of 313.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-4-methoxy-2-methylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110788400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).