3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide

C17H30N2O5S2 — CID 166213910

IUPAC3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C17H30N2O5S2/c1-13(2)24-16-9-8-14(26(22,23)19(6)7)12-15(16)18-25(20,21)11-10-17(3,4)5/h8-9,12-13,18H,10-11H2,1-7H3
InChIKeyOMFGBBLPMLJXPV-UHFFFAOYSA-N
MW406.57 g/mol
LogP2.90
Rot. Bonds8

About 3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide

3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 166213910) has the molecular formula C17H30N2O5S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID166213910
Molecular FormulaC17H30N2O5S2
Molecular Weight406.57 g/mol
Exact Mass406.16
IUPAC Name3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C17H30N2O5S2/c1-13(2)24-16-9-8-14(26(22,23)19(6)7)12-15(16)18-25(20,21)11-10-17(3,4)5/h8-9,12-13,18H,10-11H2,1-7H3
InChIKeyOMFGBBLPMLJXPV-UHFFFAOYSA-N
XLogP2.90
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521156
dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium
CID 58350325
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methylpropanamide
CID 8838745
N-(2-hydroxyethyl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 54879645
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
CID 16552710
N-(azetidin-3-yl)-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 66185704
2-[[5-(dimethylsulfamoyl)-2-methylphenyl]sulfamoyl]acetic acid
CID 43361881
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
N,N-dimethyl-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]-4-propan-2-yloxybenzenesulfonamide
CID 25195976

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide (CID 166213910) is 3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is OMFGBBLPMLJXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5S2/c1-13(2)24-16-9-8-14(26(22,23)19(6)7)12-15(16)18-25(20,21)11-10-17(3,4)5/h8-9,12-13,18H,10-11H2,1-7H3.
What are the key properties of 3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide?
3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 406.57 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutylsulfonylamino)-N,N-dimethyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 166213910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).