N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide

C15H26N2O5S2 — CID 113068111

IUPACN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O5S2/c1-6-22-13-7-9-14(10-8-13)24(20,21)16-11-12-17(15(2,3)4)23(5,18)19/h7-10,16H,6,11-12H2,1-5H3
InChIKeyMBVSSETYBBENRA-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.42
Rot. Bonds8

About N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide

N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide (PubChem CID 113068111) has the molecular formula C15H26N2O5S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide
PubChem CID113068111
Molecular FormulaC15H26N2O5S2
Molecular Weight378.52 g/mol
Exact Mass378.13
IUPAC NameN-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O5S2/c1-6-22-13-7-9-14(10-8-13)24(20,21)16-11-12-17(15(2,3)4)23(5,18)19/h7-10,16H,6,11-12H2,1-5H3
InChIKeyMBVSSETYBBENRA-UHFFFAOYSA-N
XLogP1.42
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113065559
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
N-(2-tert-butylsulfanylethyl)-4-ethoxybenzenesulfonamide
CID 2197976
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 119656064
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106034374
N-(3-amino-2,2-difluoropropyl)-4-ethoxybenzenesulfonamide
CID 114383933
4-ethoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide
CID 8843143

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide (CID 113068111) is N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCN(C(C)(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide?
The InChIKey is MBVSSETYBBENRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5S2/c1-6-22-13-7-9-14(10-8-13)24(20,21)16-11-12-17(15(2,3)4)23(5,18)19/h7-10,16H,6,11-12H2,1-5H3.
What are the key properties of N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide?
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide has a molecular weight of 378.52 g/mol, XLogP of 1.42, 8 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-ethoxybenzenesulfonamide is sourced from PubChem (CID 113068111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).