N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide

C19H25N3O4S — CID 113139911

IUPACN-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
SMILESCOc1cccc(CCNC(=O)CCN(Cc2cccnc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H25N3O4S/c1-26-18-7-3-5-16(13-18)8-11-21-19(23)9-12-22(27(2,24)25)15-17-6-4-10-20-14-17/h3-7,10,13-14H,8-9,11-12,15H2,1-2H3,(H,21,23)
InChIKeyAXBSSXFZRSRXCJ-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.60
Rot. Bonds10

About N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide

N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide (PubChem CID 113139911) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
PubChem CID113139911
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
SMILESCOc1cccc(CCNC(=O)CCN(Cc2cccnc2)S(C)(=O)=O)c1
InChIInChI=1S/C19H25N3O4S/c1-26-18-7-3-5-16(13-18)8-11-21-19(23)9-12-22(27(2,24)25)15-17-6-4-10-20-14-17/h3-7,10,13-14H,8-9,11-12,15H2,1-2H3,(H,21,23)
InChIKeyAXBSSXFZRSRXCJ-UHFFFAOYSA-N
XLogP1.60
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151684
N-[2-(3-methoxyphenyl)ethyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148476
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137826
N-[2-(3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147341
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151614
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137660
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
CID 113139567
N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide (CID 113139911) is N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide is COc1cccc(CCNC(=O)CCN(Cc2cccnc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
The InChIKey is AXBSSXFZRSRXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-26-18-7-3-5-16(13-18)8-11-21-19(23)9-12-22(27(2,24)25)15-17-6-4-10-20-14-17/h3-7,10,13-14H,8-9,11-12,15H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide has a molecular weight of 391.49 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide is sourced from PubChem (CID 113139911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).