4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide

C17H28N2O3S — CID 120713778

IUPAC4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC2CCNC(C)C2)cc1C(C)C
InChIInChI=1S/C17H28N2O3S/c1-11(2)15-10-17(12(3)8-16(15)22-5)23(20,21)19-14-6-7-18-13(4)9-14/h8,10-11,13-14,18-19H,6-7,9H2,1-5H3
InChIKeyJBGHYTCNKRLZAJ-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.55
Rot. Bonds5

About 4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide

4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide (PubChem CID 120713778) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
PubChem CID120713778
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC2CCNC(C)C2)cc1C(C)C
InChIInChI=1S/C17H28N2O3S/c1-11(2)15-10-17(12(3)8-16(15)22-5)23(20,21)19-14-6-7-18-13(4)9-14/h8,10-11,13-14,18-19H,6-7,9H2,1-5H3
InChIKeyJBGHYTCNKRLZAJ-UHFFFAOYSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707629
4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120707170
N-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 133200353
2-bromo-5-chloro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120585984
2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586052
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
5-chloro-4-methoxy-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707594
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)-5-propan-2-ylbenzenesulfonamide
CID 120707882
2,5-dimethyl-N-(2-methylpiperidin-4-yl)thiophene-3-sulfonamide
CID 106995677
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
3-methoxy-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586094
N-(2-amino-2-cyclopropylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713290

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide (CID 120713778) is 4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NC2CCNC(C)C2)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is JBGHYTCNKRLZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-11(2)15-10-17(12(3)8-16(15)22-5)23(20,21)19-14-6-7-18-13(4)9-14/h8,10-11,13-14,18-19H,6-7,9H2,1-5H3.
What are the key properties of 4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide?
4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 120713778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).