N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide

C13H22N2O3S — CID 58493949

IUPACN-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide
SMILESCCOc1c(N)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C13H22N2O3S/c1-6-18-12-10(14)7-9(13(2,3)4)8-11(12)15-19(5,16)17/h7-8,15H,6,14H2,1-5H3
InChIKeyCGUMAFLNGIHCMV-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.34
Rot. Bonds4

About N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide

N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide (PubChem CID 58493949) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide
PubChem CID58493949
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide
SMILESCCOc1c(N)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C13H22N2O3S/c1-6-18-12-10(14)7-9(13(2,3)4)8-11(12)15-19(5,16)17/h7-8,15H,6,14H2,1-5H3
InChIKeyCGUMAFLNGIHCMV-UHFFFAOYSA-N
XLogP2.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-ethoxyphenyl)methanesulfonamide
CID 95910456
2-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-oxoacetamide
CID 69399643
N-[5-tert-butyl-3-nitro-2-(trideuteriomethoxy)phenyl]methanesulfonamide
CID 131984966
2-(ethoxymethylsulfonyl)-5-(trifluoromethyl)aniline
CID 81176313
ethyl 1-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-2-methylphenyl]imidazole-4-carboxylate
CID 11562766
(3-amino-5-tert-butyl-2-methoxyphenyl)methanesulfonic acid
CID 150737660
2-tert-butyl-7-ethoxy-4,5,9,10-tetrahydropyrene
CID 15721429
[5-tert-butyl-3-(ethylsulfonylamino)-2-methoxyphenyl]carbamic acid
CID 121268660
N'-(5-tert-butyl-2-ethoxyphenyl)-N-(2-ethylphenyl)ethane-1,2-diamine
CID 67533640
N-[3-[3-(4-amino-3-hydroxyphenyl)pentan-3-yl]-1H-indol-7-yl]methanesulfonamide
CID 58731218
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide?
The IUPAC name of N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide (CID 58493949) is N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide is CCOc1c(N)cc(C(C)(C)C)cc1NS(C)(=O)=O.
What is the InChIKey of N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide?
The InChIKey is CGUMAFLNGIHCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-6-18-12-10(14)7-9(13(2,3)4)8-11(12)15-19(5,16)17/h7-8,15H,6,14H2,1-5H3.
What are the key properties of N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide?
N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-tert-butyl-2-ethoxyphenyl)methanesulfonamide is sourced from PubChem (CID 58493949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).