3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide

C20H26N2O4S — CID 113139567

IUPAC3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
SMILESCOc1ccccc1CN(CCC(=O)NCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-26-19-11-7-6-10-18(19)16-22(27(2,24)25)15-13-20(23)21-14-12-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3,(H,21,23)
InChIKeyVTYHZPMJCNUKIE-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.21
Rot. Bonds10

About 3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide

3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide (PubChem CID 113139567) has the molecular formula C20H26N2O4S and a molecular weight of 390.50 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
PubChem CID113139567
Molecular FormulaC20H26N2O4S
Molecular Weight390.50 g/mol
Exact Mass390.16
IUPAC Name3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
SMILESCOc1ccccc1CN(CCC(=O)NCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O4S/c1-26-19-11-7-6-10-18(19)16-22(27(2,24)25)15-13-20(23)21-14-12-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3,(H,21,23)
InChIKeyVTYHZPMJCNUKIE-UHFFFAOYSA-N
XLogP2.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
CID 113138485
N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139586
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113138110
3-[butyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113136668
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113138491
N-[2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]propanamide
CID 113067650
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113139575

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide (CID 113139567) is 3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide is COc1ccccc1CN(CCC(=O)NCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide?
The InChIKey is VTYHZPMJCNUKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-26-19-11-7-6-10-18(19)16-22(27(2,24)25)15-13-20(23)21-14-12-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3,(H,21,23).
What are the key properties of 3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide?
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide has a molecular weight of 390.50 g/mol, XLogP of 2.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 113139567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).