N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide

C15H18N2O3S — CID 24807240

IUPACN-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide
SMILESCN(c1ccc(N)cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H18N2O3S/c1-17(21(2,18)19)14-9-8-13(16)10-15(14)20-11-12-6-4-3-5-7-12/h3-10H,11,16H2,1-2H3
InChIKeyIRJZPGWYUARYCO-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.24
Rot. Bonds5

About N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide

N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide (PubChem CID 24807240) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide
PubChem CID24807240
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide
SMILESCN(c1ccc(N)cc1OCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H18N2O3S/c1-17(21(2,18)19)14-9-8-13(16)10-15(14)20-11-12-6-4-3-5-7-12/h3-10H,11,16H2,1-2H3
InChIKeyIRJZPGWYUARYCO-UHFFFAOYSA-N
XLogP2.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide (CID 24807240) is N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide is CN(c1ccc(N)cc1OCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide?
The InChIKey is IRJZPGWYUARYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17(21(2,18)19)14-9-8-13(16)10-15(14)20-11-12-6-4-3-5-7-12/h3-10H,11,16H2,1-2H3.
What are the key properties of N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide?
N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-phenylmethoxyphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 24807240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).