N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide

C16H19N3O4S — CID 27195572

IUPACN-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)NCc2cccnc2)ccc1OC
InChIInChI=1S/C16H19N3O4S/c1-3-16(20)19-14-9-13(6-7-15(14)23-2)24(21,22)18-11-12-5-4-8-17-10-12/h4-10,18H,3,11H2,1-2H3,(H,19,20)
InChIKeyRONQIHLAZCXMNR-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.92
Rot. Bonds7

About N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide

N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide (PubChem CID 27195572) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide
PubChem CID27195572
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)NCc2cccnc2)ccc1OC
InChIInChI=1S/C16H19N3O4S/c1-3-16(20)19-14-9-13(6-7-15(14)23-2)24(21,22)18-11-12-5-4-8-17-10-12/h4-10,18H,3,11H2,1-2H3,(H,19,20)
InChIKeyRONQIHLAZCXMNR-UHFFFAOYSA-N
XLogP1.92
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide
CID 6458014
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 27211549
3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 170510592
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
CID 27211758
3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91816113
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
4-methoxy-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 2203728
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 47326377
N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide
CID 46696333

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide (CID 27195572) is N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide is CCC(=O)Nc1cc(S(=O)(=O)NCc2cccnc2)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide?
The InChIKey is RONQIHLAZCXMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-3-16(20)19-14-9-13(6-7-15(14)23-2)24(21,22)18-11-12-5-4-8-17-10-12/h4-10,18H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide?
N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide has a molecular weight of 349.41 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 27195572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).