N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide

C20H26N2O3S — CID 113066712

IUPACN-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
SMILESCc1cccc(CN(CCNC(=O)CCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-17-7-6-10-19(15-17)16-22(26(2,24)25)14-13-21-20(23)12-11-18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3,(H,21,23)
InChIKeyGRDIAYWZMLPNDI-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.51
Rot. Bonds9

About N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide

N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide (PubChem CID 113066712) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
PubChem CID113066712
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
SMILESCc1cccc(CN(CCNC(=O)CCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-17-7-6-10-19(15-17)16-22(26(2,24)25)14-13-21-20(23)12-11-18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3,(H,21,23)
InChIKeyGRDIAYWZMLPNDI-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113067436
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-(3-methoxypropyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138863
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113067030
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138877
3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 47327011
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066497
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066412
N-(4-chlorophenyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138932

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide (CID 113066712) is N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide is Cc1cccc(CN(CCNC(=O)CCc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide?
The InChIKey is GRDIAYWZMLPNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-17-7-6-10-19(15-17)16-22(26(2,24)25)14-13-21-20(23)12-11-18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide?
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide has a molecular weight of 374.51 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113066712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).