N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide

C19H25N3O4S — CID 163318587

IUPACN-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide
SMILESCCS(=O)(=O)NCc1cc(CNC(=O)CCc2ccccc2OC)ccn1
InChIInChI=1S/C19H25N3O4S/c1-3-27(24,25)22-14-17-12-15(10-11-20-17)13-21-19(23)9-8-16-6-4-5-7-18(16)26-2/h4-7,10-12,22H,3,8-9,13-14H2,1-2H3,(H,21,23)
InChIKeyAPAMYFJBTQFNIT-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.78
Rot. Bonds10

About N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide

N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 163318587) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide
PubChem CID163318587
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide
SMILESCCS(=O)(=O)NCc1cc(CNC(=O)CCc2ccccc2OC)ccn1
InChIInChI=1S/C19H25N3O4S/c1-3-27(24,25)22-14-17-12-15(10-11-20-17)13-21-19(23)9-8-16-6-4-5-7-18(16)26-2/h4-7,10-12,22H,3,8-9,13-14H2,1-2H3,(H,21,23)
InChIKeyAPAMYFJBTQFNIT-UHFFFAOYSA-N
XLogP1.78
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-(2-methoxyphenyl)propanoylamino]methyl]pyridine-4-carboxylate
CID 112533467
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
N-[(2-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185909
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 110784245
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110416240
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide (CID 163318587) is N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide is CCS(=O)(=O)NCc1cc(CNC(=O)CCc2ccccc2OC)ccn1.
What is the InChIKey of N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is APAMYFJBTQFNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-27(24,25)22-14-17-12-15(10-11-20-17)13-21-19(23)9-8-16-6-4-5-7-18(16)26-2/h4-7,10-12,22H,3,8-9,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide?
N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 391.49 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 163318587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).