N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide

C23H46N4O3S — CID 163951225

IUPACN-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide
SMILESCCC(CC(C)(C)C(CN(C(C)(C)C)S(C)(=O)=O)OC(C)C(C)(C)C)c1cn(C)nn1
InChIInChI=1S/C23H46N4O3S/c1-13-18(19-15-26(11)25-24-19)14-23(9,10)20(30-17(2)21(3,4)5)16-27(22(6,7)8)31(12,28)29/h15,17-18,20H,13-14,16H2,1-12H3
InChIKeyRZMLXNBMNNLUKU-UHFFFAOYSA-N
MW458.71 g/mol
LogP4.60
Rot. Bonds10

About N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide

N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide (PubChem CID 163951225) has the molecular formula C23H46N4O3S and a molecular weight of 458.71 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide
PubChem CID163951225
Molecular FormulaC23H46N4O3S
Molecular Weight458.71 g/mol
Exact Mass458.33
IUPAC NameN-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide
SMILESCCC(CC(C)(C)C(CN(C(C)(C)C)S(C)(=O)=O)OC(C)C(C)(C)C)c1cn(C)nn1
InChIInChI=1S/C23H46N4O3S/c1-13-18(19-15-26(11)25-24-19)14-23(9,10)20(30-17(2)21(3,4)5)16-27(22(6,7)8)31(12,28)29/h15,17-18,20H,13-14,16H2,1-12H3
InChIKeyRZMLXNBMNNLUKU-UHFFFAOYSA-N
XLogP4.60
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.71
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 70799814
CID 70799814
CID 70799829
CID 70799829
CID 118241748
CID 118241748
CID 118241750
CID 118241750
CID 118241877
CID 118241877
CID 123975192
CID 123975192
CID 146544924
CID 146544924
CID 163424064
CID 163424064
CID 167018476
CID 167018476
CID 167491644
CID 167491644
CID 170042161
CID 170042161
CID 170094676
CID 170094676

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide (CID 163951225) is N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide is CCC(CC(C)(C)C(CN(C(C)(C)C)S(C)(=O)=O)OC(C)C(C)(C)C)c1cn(C)nn1.
What is the InChIKey of N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide?
The InChIKey is RZMLXNBMNNLUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4O3S/c1-13-18(19-15-26(11)25-24-19)14-23(9,10)20(30-17(2)21(3,4)5)16-27(22(6,7)8)31(12,28)29/h15,17-18,20H,13-14,16H2,1-12H3.
What are the key properties of N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide?
N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide has a molecular weight of 458.71 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3,3-dimethyl-5-(1-methyltriazol-4-yl)heptyl]methanesulfonamide is sourced from PubChem (CID 163951225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).