N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide

C17H29NO4S2 — CID 143534458

IUPACN-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCCOCC(CSC)N(CC)S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C17H29NO4S2/c1-7-18(15(12-23-6)11-22-8-2)24(19,20)17-13(3)9-16(21-5)10-14(17)4/h9-10,15H,7-8,11-12H2,1-6H3
InChIKeyPJFNNIYRDXGFIU-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.09
Rot. Bonds10

About N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide

N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 143534458) has the molecular formula C17H29NO4S2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID143534458
Molecular FormulaC17H29NO4S2
Molecular Weight375.56 g/mol
Exact Mass375.15
IUPAC NameN-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCCOCC(CSC)N(CC)S(=O)(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C17H29NO4S2/c1-7-18(15(12-23-6)11-22-8-2)24(19,20)17-13(3)9-16(21-5)10-14(17)4/h9-10,15H,7-8,11-12H2,1-6H3
InChIKeyPJFNNIYRDXGFIU-UHFFFAOYSA-N
XLogP3.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 143534458) is N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide is CCOCC(CSC)N(CC)S(=O)(=O)c1c(C)cc(OC)cc1C.
What is the InChIKey of N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is PJFNNIYRDXGFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4S2/c1-7-18(15(12-23-6)11-22-8-2)24(19,20)17-13(3)9-16(21-5)10-14(17)4/h9-10,15H,7-8,11-12H2,1-6H3.
What are the key properties of N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 375.56 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylsulfanylpropan-2-yl)-N-ethyl-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 143534458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).