N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide

C18H23N3O3S — CID 113067436

IUPACN-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
SMILESCS(=O)(=O)N(CCNC(=O)CCc1ccccc1)Cc1ccncc1
InChIInChI=1S/C18H23N3O3S/c1-25(23,24)21(15-17-9-11-19-12-10-17)14-13-20-18(22)8-7-16-5-3-2-4-6-16/h2-6,9-12H,7-8,13-15H2,1H3,(H,20,22)
InChIKeyQTFHJQQDQZUOCL-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.59
Rot. Bonds9

About N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide

N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide (PubChem CID 113067436) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
PubChem CID113067436
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide
SMILESCS(=O)(=O)N(CCNC(=O)CCc1ccccc1)Cc1ccncc1
InChIInChI=1S/C18H23N3O3S/c1-25(23,24)21(15-17-9-11-19-12-10-17)14-13-20-18(22)8-7-16-5-3-2-4-6-16/h2-6,9-12H,7-8,13-15H2,1H3,(H,20,22)
InChIKeyQTFHJQQDQZUOCL-UHFFFAOYSA-N
XLogP1.59
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-phenoxyacetamide
CID 113066570
N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140035
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113067406
N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036
2-[methylsulfonyl(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 963773
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3-phenylpropanamide
CID 113071298
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]cyclohexanecarboxamide
CID 113067409

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide (CID 113067436) is N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide is CS(=O)(=O)N(CCNC(=O)CCc1ccccc1)Cc1ccncc1.
What is the InChIKey of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide?
The InChIKey is QTFHJQQDQZUOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-25(23,24)21(15-17-9-11-19-12-10-17)14-13-20-18(22)8-7-16-5-3-2-4-6-16/h2-6,9-12H,7-8,13-15H2,1H3,(H,20,22).
What are the key properties of N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide?
N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide has a molecular weight of 361.47 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113067436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).