N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide

C15H26N2O3S — CID 102704364

IUPACN-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(CC)C(C)C)c(OC)c1
InChIInChI=1S/C15H26N2O3S/c1-6-16-11-13-8-9-15(14(10-13)20-5)21(18,19)17(7-2)12(3)4/h8-10,12,16H,6-7,11H2,1-5H3
InChIKeyVLPANBWUJFZANX-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.22
Rot. Bonds8

About N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide

N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide (PubChem CID 102704364) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
PubChem CID102704364
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(CC)C(C)C)c(OC)c1
InChIInChI=1S/C15H26N2O3S/c1-6-16-11-13-8-9-15(14(10-13)20-5)21(18,19)17(7-2)12(3)4/h8-10,12,16H,6-7,11H2,1-5H3
InChIKeyVLPANBWUJFZANX-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 102704372
4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide
CID 102704679
4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074924
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
5-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074842
4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 102703965
4-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081280
4-(chloromethyl)-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704233
4-(chloromethyl)-2-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 102704201
N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
CID 102704691

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide (CID 102704364) is N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide is CCNCc1ccc(S(=O)(=O)N(CC)C(C)C)c(OC)c1.
What is the InChIKey of N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VLPANBWUJFZANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-16-11-13-8-9-15(14(10-13)20-5)21(18,19)17(7-2)12(3)4/h8-10,12,16H,6-7,11H2,1-5H3.
What are the key properties of N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide?
N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 102704364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).