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

C20H26N2O3S — CID 113066647

IUPACN-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
SMILESCc1ccccc1CN(CCNC(=O)CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-17-8-6-7-11-19(17)16-22(26(2,24)25)15-14-21-20(23)13-12-18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3,(H,21,23)
InChIKeyPIMZXHFCCAFPNU-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.51
Rot. Bonds9

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

N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide (PubChem CID 113066647) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
PubChem CID113066647
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
SMILESCc1ccccc1CN(CCNC(=O)CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-17-8-6-7-11-19(17)16-22(26(2,24)25)15-14-21-20(23)13-12-18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3,(H,21,23)
InChIKeyPIMZXHFCCAFPNU-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]-3-phenylpropanamide
CID 113066712
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(3-phenylpropyl)acetamide
CID 113150542
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113067436
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
CID 113054142
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113066628
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
CID 113139567
2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide
CID 113067370
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067498

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide (CID 113066647) is N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide is Cc1ccccc1CN(CCNC(=O)CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide?
The InChIKey is PIMZXHFCCAFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-17-8-6-7-11-19(17)16-22(26(2,24)25)15-14-21-20(23)13-12-18-9-4-3-5-10-18/h3-11H,12-16H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide?
N-[2-[(2-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-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113066647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).