3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide

C18H22N2O4S — CID 110602541

IUPAC3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-14-7-9-17(10-8-14)25(22,23)20(2)12-11-19-18(21)15-5-4-6-16(13-15)24-3/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyXKRZMPSFEAJYKQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.05
Rot. Bonds7

About 3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide

3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 110602541) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
PubChem CID110602541
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-14-7-9-17(10-8-14)25(22,23)20(2)12-11-19-18(21)15-5-4-6-16(13-15)24-3/h4-10,13H,11-12H2,1-3H3,(H,19,21)
InChIKeyXKRZMPSFEAJYKQ-UHFFFAOYSA-N
XLogP2.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602545
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
ethyl N-[4-[2-[(3-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate
CID 70622907
N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide
CID 7617970
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
CID 35325375
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide (CID 110602541) is 3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide is COc1cccc(C(=O)NCCN(C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is XKRZMPSFEAJYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-7-9-17(10-8-14)25(22,23)20(2)12-11-19-18(21)15-5-4-6-16(13-15)24-3/h4-10,13H,11-12H2,1-3H3,(H,19,21).
What are the key properties of 3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide?
3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 110602541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).