2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide

C16H25NO4S — CID 6472180

IUPAC2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C16H25NO4S/c1-11(2)14-9-16(15(20-4)8-12(14)3)22(18,19)17-10-13-6-5-7-21-13/h8-9,11,13,17H,5-7,10H2,1-4H3
InChIKeyATGWKDMXQNAKEY-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.58
Rot. Bonds6

About 2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide

2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide (PubChem CID 6472180) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide
PubChem CID6472180
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C16H25NO4S/c1-11(2)14-9-16(15(20-4)8-12(14)3)22(18,19)17-10-13-6-5-7-21-13/h8-9,11,13,17H,5-7,10H2,1-4H3
InChIKeyATGWKDMXQNAKEY-UHFFFAOYSA-N
XLogP2.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide (CID 6472180) is 2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(C(C)C)cc1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is ATGWKDMXQNAKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-11(2)14-9-16(15(20-4)8-12(14)3)22(18,19)17-10-13-6-5-7-21-13/h8-9,11,13,17H,5-7,10H2,1-4H3.
What are the key properties of 2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 6472180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).