4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide

C15H26N2O3S — CID 106030118

IUPAC4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCNCCc1cc(OC)ccc1S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C15H26N2O3S/c1-11(2)12(3)17-21(18,19)15-7-6-14(20-5)10-13(15)8-9-16-4/h6-7,10-12,16-17H,8-9H2,1-5H3
InChIKeyPNVZBRSPGCPJDN-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.78
Rot. Bonds8

About 4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide

4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106030118) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID106030118
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCNCCc1cc(OC)ccc1S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C15H26N2O3S/c1-11(2)12(3)17-21(18,19)15-7-6-14(20-5)10-13(15)8-9-16-4/h6-7,10-12,16-17H,8-9H2,1-5H3
InChIKeyPNVZBRSPGCPJDN-UHFFFAOYSA-N
XLogP1.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethyl)-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331622
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
(2R)-2-[[2-[2-(benzylamino)-2-oxoethyl]-4-methoxyphenyl]sulfonylamino]-3-methylbutanoic acid
CID 67584999
N'-[2-(2,5-dimethoxyphenyl)ethyl]-N-methylmethanediamine
CID 115227129
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
2-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29273537
2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030057
2,5-dimethoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681907
2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 40790424
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 106030118) is 4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide is CNCCc1cc(OC)ccc1S(=O)(=O)NC(C)C(C)C.
What is the InChIKey of 4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is PNVZBRSPGCPJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-11(2)12(3)17-21(18,19)15-7-6-14(20-5)10-13(15)8-9-16-4/h6-7,10-12,16-17H,8-9H2,1-5H3.
What are the key properties of 4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide?
4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106030118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).