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

C19H24N2O4S — CID 113066639

IUPAC4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(Cc2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-15-6-4-5-7-17(15)14-21(26(3,23)24)13-12-20-19(22)16-8-10-18(25-2)11-9-16/h4-11H,12-14H2,1-3H3,(H,20,22)
InChIKeyWNRBSUBVWUFCKK-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.20
Rot. Bonds8

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

4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide (PubChem CID 113066639) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
PubChem CID113066639
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN(Cc2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O4S/c1-15-6-4-5-7-17(15)14-21(26(3,23)24)13-12-20-19(22)16-8-10-18(25-2)11-9-16/h4-11H,12-14H2,1-3H3,(H,20,22)
InChIKeyWNRBSUBVWUFCKK-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066651
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018
N-[(4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126184390
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066900
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113066628
N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1315945
4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069361
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]-3-methylbenzamide
CID 113066892
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide (CID 113066639) is 4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide is COc1ccc(C(=O)NCCN(Cc2ccccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
The InChIKey is WNRBSUBVWUFCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-6-4-5-7-17(15)14-21(26(3,23)24)13-12-20-19(22)16-8-10-18(25-2)11-9-16/h4-11H,12-14H2,1-3H3,(H,20,22).
What are the key properties of 4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide?
4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide is sourced from PubChem (CID 113066639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).