N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C16H28N2O5S2 — CID 113068096

IUPACN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C16H28N2O5S2/c1-12-11-15(13(2)10-14(12)23-6)25(21,22)17-8-9-18(16(3,4)5)24(7,19)20/h10-11,17H,8-9H2,1-7H3
InChIKeyJBTSTMFLIGTJNM-UHFFFAOYSA-N
MW392.54 g/mol
LogP1.65
Rot. Bonds7

About N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 113068096) has the molecular formula C16H28N2O5S2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID113068096
Molecular FormulaC16H28N2O5S2
Molecular Weight392.54 g/mol
Exact Mass392.14
IUPAC NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C16H28N2O5S2/c1-12-11-15(13(2)10-14(12)23-6)25(21,22)17-8-9-18(16(3,4)5)24(7,19)20/h10-11,17H,8-9H2,1-7H3
InChIKeyJBTSTMFLIGTJNM-UHFFFAOYSA-N
XLogP1.65
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113065184
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
2-methoxy-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-4,5-dimethylbenzenesulfonamide
CID 113066032
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
4-methoxy-2,5-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzenesulfonamide
CID 110359367
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
4-methoxy-2,5-dimethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 47304384
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 27261539

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 113068096) is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is JBTSTMFLIGTJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5S2/c1-12-11-15(13(2)10-14(12)23-6)25(21,22)17-8-9-18(16(3,4)5)24(7,19)20/h10-11,17H,8-9H2,1-7H3.
What are the key properties of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 392.54 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113068096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).