2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide

C17H29NO3S — CID 880134

IUPAC2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(C(C)C)c(C)cc1OC
InChIInChI=1S/C17H29NO3S/c1-7-9-18(10-8-2)22(19,20)17-12-15(13(3)4)14(5)11-16(17)21-6/h11-13H,7-10H2,1-6H3
InChIKeyHTXMHBAFPQFWNJ-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.94
Rot. Bonds8

About 2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide

2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide (PubChem CID 880134) has the molecular formula C17H29NO3S and a molecular weight of 327.49 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide
PubChem CID880134
Molecular FormulaC17H29NO3S
Molecular Weight327.49 g/mol
Exact Mass327.19
IUPAC Name2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(C(C)C)c(C)cc1OC
InChIInChI=1S/C17H29NO3S/c1-7-9-18(10-8-2)22(19,20)17-12-15(13(3)4)14(5)11-16(17)21-6/h11-13H,7-10H2,1-6H3
InChIKeyHTXMHBAFPQFWNJ-UHFFFAOYSA-N
XLogP3.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide (CID 880134) is 2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cc(C(C)C)c(C)cc1OC.
What is the InChIKey of 2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide?
The InChIKey is HTXMHBAFPQFWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3S/c1-7-9-18(10-8-2)22(19,20)17-12-15(13(3)4)14(5)11-16(17)21-6/h11-13H,7-10H2,1-6H3.
What are the key properties of 2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide?
2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide has a molecular weight of 327.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-propan-2-yl-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 880134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).