N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide

C11H18N2O3S — CID 56919929

IUPACN-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide
SMILESCOc1ccc(N(C)CCNS(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S/c1-13(9-8-12-17(3,14)15)10-4-6-11(16-2)7-5-10/h4-7,12H,8-9H2,1-3H3
InChIKeyQZQIDVCGAMTSOP-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.68
Rot. Bonds6

About N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide

N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide (PubChem CID 56919929) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide
PubChem CID56919929
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide
SMILESCOc1ccc(N(C)CCNS(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S/c1-13(9-8-12-17(3,14)15)10-4-6-11(16-2)7-5-10/h4-7,12H,8-9H2,1-3H3
InChIKeyQZQIDVCGAMTSOP-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070529
N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62554288
N-[2-(4-methoxy-N-methylanilino)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278322
N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62554132
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62562567
1-[2-(4-methoxy-N-methylanilino)ethyl]-3-[3-[methyl(methylsulfonyl)amino]phenyl]thiourea
CID 100754476
N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 110664507
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 11000205
N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide
CID 146106049
N-[2-[4-[6-chloro-2-(4-methoxy-N-methylanilino)pyrimidin-4-yl]oxyphenyl]ethyl]methanesulfonamide
CID 146540600
N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62554647

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide (CID 56919929) is N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide is COc1ccc(N(C)CCNS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide?
The InChIKey is QZQIDVCGAMTSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13(9-8-12-17(3,14)15)10-4-6-11(16-2)7-5-10/h4-7,12H,8-9H2,1-3H3.
What are the key properties of N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide?
N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-N-methylanilino)ethyl]methanesulfonamide is sourced from PubChem (CID 56919929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).