N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide

C15H25NO3S — CID 110757591

IUPACN-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H25NO3S/c1-6-7-10-16(4)20(17,18)15-11-13(12(2)3)8-9-14(15)19-5/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeyDIFNYNJUOVACGB-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.24
Rot. Bonds7

About N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide

N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 110757591) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide
PubChem CID110757591
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C15H25NO3S/c1-6-7-10-16(4)20(17,18)15-11-13(12(2)3)8-9-14(15)19-5/h8-9,11-12H,6-7,10H2,1-5H3
InChIKeyDIFNYNJUOVACGB-UHFFFAOYSA-N
XLogP3.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168365
N-(4-fluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168353
N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168355
N-(2-fluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168349
N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168410
N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695092
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30168402
N-(3-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168363
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 30168528
3-amino-4-methoxy-N-methyl-N-pentylbenzenesulfonamide
CID 43294579
3-[2-hydroxypropyl(methyl)sulfamoyl]-4-methoxybenzoic acid
CID 62335009

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide (CID 110757591) is N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1cc(C(C)C)ccc1OC.
What is the InChIKey of N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is DIFNYNJUOVACGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-6-7-10-16(4)20(17,18)15-11-13(12(2)3)8-9-14(15)19-5/h8-9,11-12H,6-7,10H2,1-5H3.
What are the key properties of N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide?
N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxy-N-methyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110757591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).